[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2N)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2N)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H19N5O5S/c1-10-4-5-11(8-12(10)27(24,25)21(2)3)20-13(22)9-26-16(23)14-15(17)19-7-6-18-14/h4-8H,9H2,1-3H3,(H2,17,19)(H,20,22)