N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

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