N-[2-(4-dimethylaminophenyl)-2-(phenylsulfonyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(phenylsulfonyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-2-(4-dimethylaminophenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(benzenesulfonyl)-2-(4-dimethylaminophenyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-2-(4-dimethylaminophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-besyl-2-(4-dimethylaminophenyl)ethyl]-1-mesyl-isonipecotamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S2/c1-25(2)20-11-9-18(10-12-20)22(33(30,31)21-7-5-4-6-8-21)17-24-23(27)19-13-15-26(16-14-19)32(3,28)29/h4-12,19,22H,13-17H2,1-3H3,(H,24,27)