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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(4-dimethylaminophenyl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(dimethylamino)anilino]benzenesulfonate CAS Name: 4-[4-(dimethylamino)anilino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(dimethylamino)anilino]benzenesulfonate Traditional Name: 4-[4-(dimethylamino)anilino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C25H25N5O4S/c1-30(2)19-9-5-17(6-10-19)26-18-7-12-21(13-8-18)35(32,33)34-20-11-14-22-23(15-20)28-25(27-22)29-24(31)16-3-4-16/h5-16,26H,3-4H2,1-2H3,(H2,27,28,29,31)