[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate Openeye Name: [(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(2R)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-13-11-23-18(12-22-13)20(27)30-14(2)19(26)24-17-10-15(6-7-16(17)21)31(28,29)25-8-4-3-5-9-25/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,24,26)/t14-/m1/s1