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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(propylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(propylamino)benzenesulfonate CAS Name: 4-(propylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(propylamino)benzenesulfonate Traditional Name: 4-(propylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C20H22N4O4S/c1-2-11-21-14-5-8-16(9-6-14)29(26,27)28-15-7-10-17-18(12-15)23-20(22-17)24-19(25)13-3-4-13/h5-10,12-13,21H,2-4,11H2,1H3,(H2,22,23,24,25)