N-(2-cyclohexylsulfanylethyl)-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-(cyclohexylthio)ethyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C25H34N2O3S2 MolecularWeight: 474.67906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3CCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3CCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C25H34N2O3S2/c1-19-9-14-23(17-20(19)2)27(32(3,29)30)18-21-10-12-22(13-11-21)25(28)26-15-16-31-24-7-5-4-6-8-24/h9-14,17,24H,4-8,15-16,18H2,1-3H3,(H,26,28)