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

Systemtic Name: methyl 2-[4-(phenethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(phenethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(phenethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(phenethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(phenethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-29-22(26)19-9-5-6-10-20(19)30(27,28)24-15-12-18(13-16-24)21(25)23-14-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25)