N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-ethylphenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-3-16-6-4-8-18(14-16)22-21(24)17-7-5-13-23(15-17)28(25,26)20-11-9-19(27-2)10-12-20/h4,6,8-12,14,17H,3,5,7,13,15H2,1-2H3,(H,22,24)