N-[(4-ethoxyphenyl)-phenyl-methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-ethoxyphenyl)-phenylmethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)-phenylmethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[phenyl(p-phenetyl)methyl]isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-3-28-20-11-9-18(10-12-20)21(17-7-5-4-6-8-17)23-22(25)19-13-15-24(16-14-19)29(2,26)27/h4-12,19,21H,3,13-16H2,1-2H3,(H,23,25)