N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]-1H-indol-3-yl]propionamide Formula: C24H29N7O5S MolecularWeight: 527.59596

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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=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N7O5S/c25-24(26)30-12-4-5-16(15-30)14-27-22(32)11-10-20-19-8-1-2-9-21(19)28-23(20)29-37(35,36)18-7-3-6-17(13-18)31(33)34/h1-3,6-9,13,16,28-29H,4-5,10-12,14-15H2,(H3,25,26)(H,27,32)