ethyl 1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]isonipecotic acid ethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C25H28N4O6S/c1-2-34-24(31)17-11-13-29(14-12-17)18-5-8-20(9-6-18)36(32,33)35-19-7-10-21-22(15-19)27-25(26-21)28-23(30)16-3-4-16/h5-10,15-17H,2-4,11-14H2,1H3,(H2,26,27,28,30)