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

Systemtic Name: methyl 4-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoate Openeye Name: methyl 4-[[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]sulfamoyl]benzoate CAS Name: 4-[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[2-[(1-amidino-3-piperidyl)methylamino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]sulfamoyl]benzoic acid methyl ester Formula: C26H32N6O5S MolecularWeight: 540.63448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCN(C4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCN(C4)C(=N)N

InChI

InChI=1S/C26H32N6O5S/c1-37-25(34)18-8-10-20(11-9-18)38(35,36)31-23(13-19-15-29-22-7-3-2-6-21(19)22)24(33)30-14-17-5-4-12-32(16-17)26(27)28/h2-3,6-11,15,17,23,29,31H,4-5,12-14,16H2,1H3,(H3,27,28)(H,30,33)