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

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetic acid CAS Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetic acid Traditional Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetic acid Formula: C16H15ClN2O7S MolecularWeight: 414.8175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O7S/c1-10-3-5-12(8-13(10)19(22)23)27(24,25)18(9-16(20)21)14-7-11(17)4-6-15(14)26-2/h3-8H,9H2,1-2H3,(H,20,21)