N-[2-(4-chlorophenyl)sulfanylethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H21ClN2O3S3 MolecularWeight: 445.01894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN2O3S3/c19-15-5-7-16(8-6-15)25-12-9-20-18(22)14-3-1-10-21(13-14)27(23,24)17-4-2-11-26-17/h2,4-8,11,14H,1,3,9-10,12-13H2,(H,20,22)