N-[2-(4-methylphenyl)sulfanylethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 3-(1-piperidylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 3-piperidinosulfonyl-N-[2-(p-tolylthio)ethyl]benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-10-19(11-9-17)27-15-12-22-21(24)18-6-5-7-20(16-18)28(25,26)23-13-3-2-4-14-23/h5-11,16H,2-4,12-15H2,1H3,(H,22,24)