N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C24H26N2O3S3 MolecularWeight: 486.66984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N2O3S3/c1-18-16-19(17-31-21-6-3-2-4-7-21)9-10-22(18)25-24(27)20-11-13-26(14-12-20)32(28,29)23-8-5-15-30-23/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,27)