2-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-5-(1-piperidylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 2-chloro-N-[2-[(4-methylphenyl)thio]ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-5-piperidinosulfonyl-N-[2-(p-tolylthio)ethyl]benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-16-5-7-17(8-6-16)28-14-11-23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-12-3-2-4-13-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)