2-azanyl-6-[(3-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-benzoic acid

Systemtic Name: 2-azanyl-6-[(3-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-benzoic acid Openeye Name: 2-amino-6-[(3-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-benzoic acid CAS Name: 2-amino-6-[(3-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dimethylbenzoic acid IUPAC Name: 2-amino-6-[(3-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dimethylbenzoic acid Traditional Name: 2-amino-6-(3-bromobenzyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-benzoic acid Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO5S/c1-13-19(12-15-5-4-6-16(24)11-15)20(23(26)27)21(25)14(2)22(13)31(28,29)18-9-7-17(30-3)8-10-18/h4-11H,12,25H2,1-3H3,(H,26,27)