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

Systemtic Name: ethyl 4-[4-[(2-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-methylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[2-(methylthio)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[2-(methylthio)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H26N2O5S2/c1-3-29-22(26)17-8-10-18(11-9-17)31(27,28)24-14-12-16(13-15-24)21(25)23-19-6-4-5-7-20(19)30-2/h4-11,16H,3,12-15H2,1-2H3,(H,23,25)