4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c1-18-7-5-6-15-24(18)29(26,27)21-12-10-20(11-13-21)22(25)23-14-16-28-17-19-8-3-2-4-9-19/h2-4,8-13,18H,5-7,14-17H2,1H3,(H,23,25)/t18-/m0/s1