[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26ClNO5S/c1-3-17-7-9-18(10-8-17)22(26)16(2)30-23(27)19-11-12-20(24)21(15-19)31(28,29)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3