N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-keto-2-(p-anisylamino)ethyl]isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-30-19-9-7-17(8-10-19)15-23-21(26)16-24-22(27)18-11-13-25(14-12-18)31(28,29)20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,23,26)(H,24,27)