A1EX7

Summary

Name:	CS(=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)OCCS)CCCN6CCC5
Formula:	C33 H30 N2 O5 S2
Formal charge:	0
Formula weight:	598.732 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C33H30N2O5S2/c1-42(37,38)35-32(36)23-7-2-3-9-26(23)33(35)27-18-21-6-4-14-34-15-5-8-24(30(21)34)31(27)40-28-13-11-20-10-12-22(39-16-17-41)19-25(20)29(28)33/h2-3,7,9-13,18-19,41H,4-6,8,14-17H2,1H3/t33-/m1/s1
InChIKey	InChI	1.06	DTOPCVBYLPQPHK-MGBGTMOVSA-N
SMILES_CANONICAL	CACTVS	3.385	C[S](=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5CCCN6CCCc(c4Oc7ccc8ccc(OCCS)cc8c37)c56
SMILES	CACTVS	3.385	C[S](=O)(=O)N1C(=O)c2ccccc2[C]13c4cc5CCCN6CCCc(c4Oc7ccc8ccc(OCCS)cc8c37)c56
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)OCCS)CCCN6CCC5
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1C(=O)c2ccccc2C13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)OCCS)CCCN6CCC5