[(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1S)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-14(20(26)24-19-8-4-3-7-18(19)23)30-21(27)16-13-15(9-10-17(16)22)31(28,29)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,26)/t14-/m0/s1