[(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1S)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H21Cl2N3O5S/c1-13(19(26)24-17-6-5-9-23-18(17)22)30-20(27)15-12-14(7-8-16(15)21)31(28,29)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)/t13-/m0/s1