[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamimidoylpiperidin-4-yl)methylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamimidoylpiperidin-4-yl)methylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamimidoyl-4-piperidyl)methylamino]benzenesulfonate CAS Name: 4-[(1-carbamimidoyl-4-piperidinyl)methylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamimidoylpiperidin-4-yl)methylamino]benzenesulfonate Traditional Name: 4-[(1-amidino-4-piperidyl)methylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H29N7O4S MolecularWeight: 511.59656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCN(CC5)C(=N)N

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCN(CC5)C(=N)N

InChI

InChI=1S/C24H29N7O4S/c25-23(26)31-11-9-15(10-12-31)14-27-17-3-6-19(7-4-17)36(33,34)35-18-5-8-20-21(13-18)29-24(28-20)30-22(32)16-1-2-16/h3-8,13,15-16,27H,1-2,9-12,14H2,(H3,25,26)(H2,28,29,30,32)