N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(2-methoxyphenyl)-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-28-21-14-6-5-13-20(21)23-22(25)19-12-7-15-24(17-19)29(26,27)16-8-11-18-9-3-2-4-10-18/h2-6,9-10,13-14,19H,7-8,11-12,15-17H2,1H3,(H,23,25)