N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C24H26N2O3S3 MolecularWeight: 486.66984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

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