2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetic acid CAS Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetic acid Traditional Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-11-3-8-14(9-15(11)18(21)22)26(23,24)17(10-16(19)20)12-4-6-13(25-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)