3-(2,3-dihydroindol-1-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-indolin-1-ylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-indolin-1-ylsulfonyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O3S/c31-27(28-19-23-9-1-2-10-24(23)20-29-15-5-6-16-29)22-11-7-12-25(18-22)34(32,33)30-17-14-21-8-3-4-13-26(21)30/h1-4,7-13,18H,5-6,14-17,19-20H2,(H,28,31)/p+1