N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-chlorophenyl)methylthio]ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-chlorobenzyl)thio]ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O3S2/c1-17-9-10-19(30(27,28)25-12-5-2-6-13-25)15-20(17)22(26)24-11-14-29-16-18-7-3-4-8-21(18)23/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,24,26)