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

Systemtic Name: ethyl 4-[4-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(3-methylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[3-(methylthio)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[3-(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=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

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