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

Systemtic Name: N-(2-methylphenyl)sulfonyl-1-[[3-(pentanoylamino)phenyl]methyl]indole-5-carboxamide Openeye Name: N-(o-tolylsulfonyl)-1-[[3-(pentanoylamino)phenyl]methyl]indole-5-carboxamide CAS Name: N-(2-methylphenyl)sulfonyl-1-[[3-(1-oxopentylamino)phenyl]methyl]-5-indolecarboxamide IUPAC Name: N-(2-methylphenyl)sulfonyl-1-[[3-(pentanoylamino)phenyl]methyl]indole-5-carboxamide Traditional Name: N-(o-tolylsulfonyl)-1-[3-(valerylamino)benzyl]indole-5-carboxamide Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-3-4-12-27(32)29-24-10-7-9-21(17-24)19-31-16-15-22-18-23(13-14-25(22)31)28(33)30-36(34,35)26-11-6-5-8-20(26)2/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,29,32)(H,30,33)