[(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [(1S)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H16ClN3O5S/c1-3-9-21-28(25,26)15-6-4-5-13(10-15)18(24)27-12(2)17(23)22-16-8-7-14(19)11-20-16/h1,4-8,10-12,21H,9H2,2H3,(H,20,22,23)/t12-/m0/s1