[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C23H27ClN2O5S/c1-15-7-9-19(16(2)13-15)23(28)31-17(3)22(27)25-21-14-18(8-10-20(21)24)32(29,30)26-11-5-4-6-12-26/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,25,27)/t17-/m0/s1