(4-methylsulfanylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25NO4S2/c1-16-11-13-22(14-12-16)28(24,25)20-9-5-18(6-10-20)21(23)26-15-17-3-7-19(27-2)8-4-17/h3-10,16H,11-15H2,1-2H3