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

Systemtic Name: methyl 2-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-allylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[2-(prop-2-enylthio)anilino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[2-(allylthio)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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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=C3SCC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C23H26N2O5S2/c1-3-16-31-20-10-6-5-9-19(20)24-22(26)17-12-14-25(15-13-17)32(28,29)21-11-7-4-8-18(21)23(27)30-2/h3-11,17H,1,12-16H2,2H3,(H,24,26)