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

Systemtic Name: 2-azanyl-5-(bromomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-5-(bromomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-(bromomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-(bromomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-5-(bromomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO5S/c1-14-21(25)20(23(26)27)18(12-15-6-4-3-5-7-15)19(13-24)22(14)31(28,29)17-10-8-16(30-2)9-11-17/h3-11H,12-13,25H2,1-2H3,(H,26,27)