N-cyclohexyl-N-methyl-4-[2-(2-methylphenyl)sulfanylethanoyl]piperazine-1-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-4-[2-(2-methylphenyl)sulfanylethanoyl]piperazine-1-sulfonamide Openeye Name: N-cyclohexyl-N-methyl-4-[2-(o-tolylsulfanyl)acetyl]piperazine-1-sulfonamide CAS Name: N-cyclohexyl-N-methyl-4-[2-[(2-methylphenyl)thio]-1-oxoethyl]-1-piperazinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-4-[2-(2-methylphenyl)sulfanylacetyl]piperazine-1-sulfonamide Traditional Name: N-cyclohexyl-N-methyl-4-[2-(o-tolylthio)acetyl]piperazine-1-sulfonamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C3CCCCC3

InChI

InChI=1S/C20H31N3O3S2/c1-17-8-6-7-11-19(17)27-16-20(24)22-12-14-23(15-13-22)28(25,26)21(2)18-9-4-3-5-10-18/h6-8,11,18H,3-5,9-10,12-16H2,1-2H3