[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylbutan-2-ylamino)benzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylbutan-2-ylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-[1-(hydroxymethyl)propylamino]benzenesulfonate CAS Name: 4-(1-hydroxybutan-2-ylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(1-hydroxybutan-2-ylamino)benzenesulfonate Traditional Name: 4-(1-methylolpropylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C19H22N4O6S/c1-3-12(11-24)20-13-4-7-15(8-5-13)30(26,27)29-14-6-9-16-17(10-14)22-18(21-16)23-19(25)28-2/h4-10,12,20,24H,3,11H2,1-2H3,(H2,21,22,23,25)