[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylpropan-2-ylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylpropan-2-ylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonate CAS Name: 4-(1-hydroxypropan-2-ylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(1-hydroxypropan-2-ylamino)benzenesulfonate Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C20H22N4O5S/c1-12(11-25)21-14-4-7-16(8-5-14)30(27,28)29-15-6-9-17-18(10-15)23-20(22-17)24-19(26)13-2-3-13/h4-10,12-13,21,25H,2-3,11H2,1H3,(H2,22,23,24,26)