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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(4-methyl-1-piperazinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-methylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(4-methylpiperazino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C22H25N5O4S/c1-26-10-12-27(13-11-26)16-4-7-18(8-5-16)32(29,30)31-17-6-9-19-20(14-17)24-22(23-19)25-21(28)15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H2,23,24,25,28)