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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate CAS Name: 4-(2-dimethylaminoethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-dimethylaminoethylamino)benzenesulfonate Traditional Name: 4-(2-dimethylaminoethylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CN(C)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C21H25N5O4S/c1-26(2)12-11-22-15-5-8-17(9-6-15)31(28,29)30-16-7-10-18-19(13-16)24-21(23-18)25-20(27)14-3-4-14/h5-10,13-14,22H,3-4,11-12H2,1-2H3,(H2,23,24,25,27)