N-[2-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-2-29-20-7-9-21(10-8-20)30(27,28)25-15-12-18(13-16-25)22(26)24-14-11-17-3-5-19(23)6-4-17/h3-10,18H,2,11-16H2,1H3,(H,24,26)