N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-mesyl-isonipecotamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)C

InChI

InChI=1S/C18H27N3O4S/c1-4-20(14(2)22)13-15-6-5-7-17(12-15)19-18(23)16-8-10-21(11-9-16)26(3,24)25/h5-7,12,16H,4,8-11,13H2,1-3H3,(H,19,23)