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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(1-phenoxypropan-2-ylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-methyl-2-phenoxy-ethyl)amino]benzenesulfonate CAS Name: 4-(1-phenoxypropan-2-ylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(1-phenoxypropan-2-ylamino)benzenesulfonate Traditional Name: 4-[(1-methyl-2-phenoxy-ethyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CC(COC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C26H26N4O5S/c1-17(16-34-20-5-3-2-4-6-20)27-19-9-12-22(13-10-19)36(32,33)35-21-11-14-23-24(15-21)29-26(28-23)30-25(31)18-7-8-18/h2-6,9-15,17-18,27H,7-8,16H2,1H3,(H2,28,29,30,31)