[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC5=C(C=C4)N=C(N5)NC(=O)C6CC6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC5=C(C=C4)N=C(N5)NC(=O)C6CC6

InChI

InChI=1S/C28H29N5O5S/c1-37-22-8-4-20(5-9-22)32-14-16-33(17-15-32)21-6-11-24(12-7-21)39(35,36)38-23-10-13-25-26(18-23)30-28(29-25)31-27(34)19-2-3-19/h4-13,18-19H,2-3,14-17H2,1H3,(H2,29,30,31,34)