2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-6-(phenylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-6-(phenylmethyl)benzene-1,3-dicarboxylic acid Openeye Name: 2-amino-4-benzyl-6-(4-methoxyphenyl)sulfonyl-5-methyl-benzene-1,3-dicarboxylic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-6-(phenylmethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-amino-4-benzyl-6-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,3-dicarboxylic acid Traditional Name: 2-amino-4-benzyl-6-(4-methoxyphenyl)sulfonyl-5-methyl-isophthalic acid Formula: C23H21NO7S MolecularWeight: 455.48034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H21NO7S/c1-13-17(12-14-6-4-3-5-7-14)18(22(25)26)20(24)19(23(27)28)21(13)32(29,30)16-10-8-15(31-2)9-11-16/h3-11H,12,24H2,1-2H3,(H,25,26)(H,27,28)