N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-tosyl-isonipecotamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H30N2O3S2/c1-3-20-8-10-21(11-9-20)25(24-5-4-18-32-24)27-26(29)22-14-16-28(17-15-22)33(30,31)23-12-6-19(2)7-13-23/h4-13,18,22,25H,3,14-17H2,1-2H3,(H,27,29)