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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate CAS Name: 4-(cyclopropylmethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate Traditional Name: 4-(cyclopropylmethylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

C1CC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C21H22N4O4S/c26-20(14-3-4-14)25-21-23-18-10-7-16(11-19(18)24-21)29-30(27,28)17-8-5-15(6-9-17)22-12-13-1-2-13/h5-11,13-14,22H,1-4,12H2,(H2,23,24,25,26)