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

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25ClN2O6S MolecularWeight: 492.9724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25ClN2O6S/c1-15(27)17-7-6-8-19(13-17)25-22(28)16(2)32-23(29)18-9-10-20(24)21(14-18)33(30,31)26-11-4-3-5-12-26/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,25,28)