methyl 3-[[(3-chloranyl-2-methyl-phenyl)sulfonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[[(3-chloranyl-2-methyl-phenyl)sulfonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[[(3-chloro-2-methyl-phenyl)sulfonylamino]methyl]-5-(pyrazine-2-carbonylamino)benzoate CAS Name: 3-[[(3-chloro-2-methylphenyl)sulfonylamino]methyl]-5-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-chloro-2-methylphenyl)sulfonylamino]methyl]-5-(pyrazine-2-carbonylamino)benzoate Traditional Name: 3-[[(3-chloro-2-methyl-phenyl)sulfonylamino]methyl]-5-(pyrazinoylamino)benzoic acid methyl ester Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H19ClN4O5S/c1-13-17(22)4-3-5-19(13)32(29,30)25-11-14-8-15(21(28)31-2)10-16(9-14)26-20(27)18-12-23-6-7-24-18/h3-10,12,25H,11H2,1-2H3,(H,26,27)