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

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-2-28-19-6-8-20(9-7-19)29(26,27)24-12-10-17(11-13-24)21(25)23-15-16-4-3-5-18(22)14-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,23,25)