2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 2-[[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]sulfamoyl]benzoic acid CAS Name: 2-[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-(4-nitrobenzyl)ethyl]sulfamoyl]benzoic acid Formula: C23H28N6O7S MolecularWeight: 532.56942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H28N6O7S/c24-23(25)28-11-3-4-16(14-28)13-26-21(30)19(12-15-7-9-17(10-8-15)29(33)34)27-37(35,36)20-6-2-1-5-18(20)22(31)32/h1-2,5-10,16,19,27H,3-4,11-14H2,(H3,24,25)(H,26,30)(H,31,32)