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

Systemtic Name: methyl 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]sulfamoyl]benzoate CAS Name: 2-[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]sulfamoyl]benzoate Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-(4-nitrobenzyl)ethyl]sulfamoyl]benzoic acid methyl ester Formula: C24H30N6O7S MolecularWeight: 546.596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3CCCN(C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3CCCN(C3)C(=N)N

InChI

InChI=1S/C24H30N6O7S/c1-37-23(32)19-6-2-3-7-21(19)38(35,36)28-20(13-16-8-10-18(11-9-16)30(33)34)22(31)27-14-17-5-4-12-29(15-17)24(25)26/h2-3,6-11,17,20,28H,4-5,12-15H2,1H3,(H3,25,26)(H,27,31)