N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-28-18-6-10-20(11-7-18)30(26,27)24-13-2-3-16(15-24)21(25)23-12-14-29-19-8-4-17(22)5-9-19/h4-11,16H,2-3,12-15H2,1H3,(H,23,25)