[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(butylamino)benzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(butylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(butylamino)benzenesulfonate CAS Name: 4-(butylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(butylamino)benzenesulfonate Traditional Name: 4-(butylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C19H22N4O5S/c1-3-4-11-20-13-5-8-15(9-6-13)29(25,26)28-14-7-10-16-17(12-14)22-18(21-16)23-19(24)27-2/h5-10,12,20H,3-4,11H2,1-2H3,(H2,21,22,23,24)