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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-[4-(2-methoxyethyl)-1-piperazinyl]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-[4-(2-methoxyethyl)piperazino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

COCCN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C24H29N5O5S/c1-33-15-14-28-10-12-29(13-11-28)18-4-7-20(8-5-18)35(31,32)34-19-6-9-21-22(16-19)26-24(25-21)27-23(30)17-2-3-17/h4-9,16-17H,2-3,10-15H2,1H3,(H2,25,26,27,30)