4-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-methyl-N-[2-(phenylmethylthio)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

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