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Summary Geometry Related PDB entries

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Summary

Name:	(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H18 N2 O3 S
Formal charge:	0
Formula weight:	342.412 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1
InChIKey	InChI	1.03	YMXRDHIBABQPGR-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)c1ccc2N[C@H](C3=C(CCC3)c2c1)c4ccc(O)cc4
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O

218500

PDB entries from 2024-04-17

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