methyl 2-[4-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-methylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[3-(methylthio)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[3-(methylthio)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H24N2O5S2/c1-28-21(25)18-8-3-4-9-19(18)30(26,27)23-12-10-15(11-13-23)20(24)22-16-6-5-7-17(14-16)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,24)