CMW
Summary
Name: | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate |
Formula: | C16 H19 N3 O4 S |
Formal charge: | 0 |
Formula weight: | 349.405 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate |
OpenEye OEToolkits | 1.5.0 | 3-[(4-methylphenyl)sulfonylamino]propyl N-pyridin-4-ylcarbamate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCCCNS(=O)(=O)c1ccc(cc1)C)Nc2ccncc2 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)NCCCOC(=O)Nc2ccncc2 |
SMILES | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)NCCCOC(=O)Nc2ccncc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2 |
InChI | InChI | 1.03 | InChI=1S/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20) |
InChIKey | InChI | 1.03 | ITYCDQJBLCTIID-UHFFFAOYSA-N |