[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3CCC[C@@H](C3)C

InChI

InChI=1S/C23H28N2O6S/c1-3-30-20-10-12-21(13-11-20)32(28,29)24-19-8-6-18(7-9-19)23(27)31-16-22(26)25-14-4-5-17(2)15-25/h6-13,17,24H,3-5,14-16H2,1-2H3/t17-/m0/s1