N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-N-methyl-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)N(C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-3-29-20-7-9-21(10-8-20)30(27,28)25-13-11-18(12-14-25)22(26)24(2)16-17-5-4-6-19(23)15-17/h4-10,15,18H,3,11-14,16H2,1-2H3