5-chloranyl-4-methyl-2-[(2-oxidanylidene-3-quinoxalin-2-yl-propanoyl)amino]benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-methyl-2-[(2-oxidanylidene-3-quinoxalin-2-yl-propanoyl)amino]benzenesulfonic acid Openeye Name: 5-chloro-4-methyl-2-[(2-oxo-3-quinoxalin-2-yl-propanoyl)amino]benzenesulfonic acid CAS Name: 5-chloro-2-[[1,2-dioxo-3-(2-quinoxalinyl)propyl]amino]-4-methylbenzenesulfonic acid IUPAC Name: 5-chloro-4-methyl-2-[(2-oxo-3-quinoxalin-2-ylpropanoyl)amino]benzenesulfonic acid Traditional Name: 5-chloro-2-[(2-keto-3-quinoxalin-2-yl-propanoyl)amino]-4-methyl-besylic acid Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C18H14ClN3O5S/c1-10-6-15(17(8-12(10)19)28(25,26)27)22-18(24)16(23)7-11-9-20-13-4-2-3-5-14(13)21-11/h2-6,8-9H,7H2,1H3,(H,22,24)(H,25,26,27)