N-[(4-methoxyphenyl)-(2-oxidanylidene-6-phenylsulfanyl-cyclohexyl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(4-methoxyphenyl)-(2-oxidanylidene-6-phenylsulfanyl-cyclohexyl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(4-methoxyphenyl)-(2-oxo-6-phenylsulfanyl-cyclohexyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[(4-methoxyphenyl)-[2-oxo-6-(phenylthio)cyclohexyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(4-methoxyphenyl)-(2-oxo-6-phenylsulfanylcyclohexyl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[2-keto-6-(phenylthio)cyclohexyl]-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide Formula: C27H29NO4S2 MolecularWeight: 495.65346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2C(CCCC2=O)SC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2C(CCCC2=O)SC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29NO4S2/c1-19-11-17-23(18-12-19)34(30,31)28-27(20-13-15-21(32-2)16-14-20)26-24(29)9-6-10-25(26)33-22-7-4-3-5-8-22/h3-5,7-8,11-18,25-28H,6,9-10H2,1-2H3