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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-diethylaminoethylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-diethylaminoethylamino)benzenesulfonate CAS Name: 4-(2-diethylaminoethylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-diethylaminoethylamino)benzenesulfonate Traditional Name: 4-(2-diethylaminoethylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C21H27N5O5S/c1-4-26(5-2)13-12-22-15-6-9-17(10-7-15)32(28,29)31-16-8-11-18-19(14-16)24-20(23-18)25-21(27)30-3/h6-11,14,22H,4-5,12-13H2,1-3H3,(H2,23,24,25,27)