N-(2-methylphenyl)sulfonyl-1-[[3-(propylcarbamoylamino)phenyl]methyl]indole-5-carboxamide

Systemtic Name: N-(2-methylphenyl)sulfonyl-1-[[3-(propylcarbamoylamino)phenyl]methyl]indole-5-carboxamide Openeye Name: N-(o-tolylsulfonyl)-1-[[3-(propylcarbamoylamino)phenyl]methyl]indole-5-carboxamide CAS Name: N-(2-methylphenyl)sulfonyl-1-[[3-[[oxo(propylamino)methyl]amino]phenyl]methyl]-5-indolecarboxamide IUPAC Name: N-(2-methylphenyl)sulfonyl-1-[[3-(propylcarbamoylamino)phenyl]methyl]indole-5-carboxamide Traditional Name: N-(o-tolylsulfonyl)-1-[3-(propylcarbamoylamino)benzyl]indole-5-carboxamide Formula: C27H28N4O4S MolecularWeight: 504.60062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=CC(=C1)CN2C=CC3=C2C=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCNC(=O)NC1=CC=CC(=C1)CN2C=CC3=C2C=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H28N4O4S/c1-3-14-28-27(33)29-23-9-6-8-20(16-23)18-31-15-13-21-17-22(11-12-24(21)31)26(32)30-36(34,35)25-10-5-4-7-19(25)2/h4-13,15-17H,3,14,18H2,1-2H3,(H,30,32)(H2,28,29,33)