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

Systemtic Name: methyl 2-[1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[(2-methylsulfanylphenyl)carbamoyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[[2-(methylthio)anilino]-oxomethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[[2-(methylthio)phenyl]carbamoyl]-4-piperidyl]sulfonyl]benzoic 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)C2CCN(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3SC

InChI

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