2-azanyl-5-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-5-vinyl-benzoic acid CAS Name: 2-amino-5-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-5-vinyl-benzoic acid Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OC)C=C)CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OC)C=C)CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C24H23NO5S/c1-4-19-20(14-16-8-6-5-7-9-16)21(24(26)27)22(25)15(2)23(19)31(28,29)18-12-10-17(30-3)11-13-18/h4-13H,1,14,25H2,2-3H3,(H,26,27)