2-(2-methylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-(o-tolylthio)-N-(4-piperidinosulfonylbenzyl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-17-7-3-4-8-20(17)27-16-21(24)22-15-18-9-11-19(12-10-18)28(25,26)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,22,24)