3-[2-(anthracen-2-ylsulfonylamino)-1H-indol-3-yl]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]propanamide

Systemtic Name: 3-[2-(anthracen-2-ylsulfonylamino)-1H-indol-3-yl]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]propanamide Openeye Name: 3-[2-(2-anthrylsulfonylamino)-1H-indol-3-yl]-N-[(1-carbamimidoyl-3-piperidyl)methyl]propanamide CAS Name: 3-[2-(2-anthracenylsulfonylamino)-1H-indol-3-yl]-N-[(1-carbamimidoyl-3-piperidinyl)methyl]propanamide IUPAC Name: 3-[2-(anthracen-2-ylsulfonylamino)-1H-indol-3-yl]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-(2-anthrylsulfonylamino)-1H-indol-3-yl]propionamide Formula: C32H34N6O3S MolecularWeight: 582.71576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC6=CC=CC=C6C=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC6=CC=CC=C6C=C5C=C4

InChI

InChI=1S/C32H34N6O3S/c33-32(34)38-15-5-6-21(20-38)19-35-30(39)14-13-28-27-9-3-4-10-29(27)36-31(28)37-42(40,41)26-12-11-24-16-22-7-1-2-8-23(22)17-25(24)18-26/h1-4,7-12,16-18,21,36-37H,5-6,13-15,19-20H2,(H3,33,34)(H,35,39)