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

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

CC1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CC1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

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