[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonate CAS Name: 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonate Traditional Name: 4-[2-dimethylaminoethyl(methyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CN(C)CCN(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C22H27N5O4S/c1-26(2)12-13-27(3)16-6-9-18(10-7-16)32(29,30)31-17-8-11-19-20(14-17)24-22(23-19)25-21(28)15-4-5-15/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,23,24,25,28)