[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O5S/c1-20(2)16-6-4-14(5-7-16)12-19-17(22)13-26-18(23)15-8-10-21(11-9-15)27(3,24)25/h4-7,15H,8-13H2,1-3H3,(H,19,22)