2-azanyl-3,5-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3,5-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-4-(4-benzyloxyphenyl)sulfonyl-3,5-dimethyl-benzoic acid CAS Name: 2-amino-3,5-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-3,5-dimethyl-4-(4-phenylmethoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-4-(4-benzoxyphenyl)sulfonyl-6-benzyl-3,5-dimethyl-benzoic acid Formula: C29H27NO5S MolecularWeight: 501.59338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO5S/c1-19-25(17-21-9-5-3-6-10-21)26(29(31)32)27(30)20(2)28(19)36(33,34)24-15-13-23(14-16-24)35-18-22-11-7-4-8-12-22/h3-16H,17-18,30H2,1-2H3,(H,31,32)