N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H29N3O3S2/c1-18-14-20(3)27-25(15-18)19(2)16-26(31-27)35-21(4)28(32)30-23-10-12-24(13-11-23)36(33,34)29-17-22-8-6-5-7-9-22/h5-16,21,29H,17H2,1-4H3,(H,30,32)