methyl 3-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H22ClN3O8S MolecularWeight: 547.96478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN3O8S/c1-15-7-9-19(13-20(15)28(31)32)37(33,34)27(21-12-17(25)8-10-22(21)35-2)14-23(29)26-18-6-4-5-16(11-18)24(30)36-3/h4-13H,14H2,1-3H3,(H,26,29)