[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C24H25NO4S2 MolecularWeight: 455.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO4S2/c1-18-9-14-23(15-19(18)2)31(27,28)25(3)21-10-12-22(13-11-21)29-24(26)17-30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3