2-azanyl-5-bromanyl-3-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-bromanyl-3-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-4-(4-benzyloxyphenyl)sulfonyl-5-bromo-3-methyl-benzoic acid CAS Name: 2-amino-5-bromo-3-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-bromo-3-methyl-4-(4-phenylmethoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-4-(4-benzoxyphenyl)sulfonyl-6-benzyl-5-bromo-3-methyl-benzoic acid Formula: C28H24BrNO5S MolecularWeight: 566.46286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)Br)CC4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)Br)CC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C28H24BrNO5S/c1-18-26(30)24(28(31)32)23(16-19-8-4-2-5-9-19)25(29)27(18)36(33,34)22-14-12-21(13-15-22)35-17-20-10-6-3-7-11-20/h2-15H,16-17,30H2,1H3,(H,31,32)