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

Systemtic Name: 2-azanyl-5-bromanyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-5-bromo-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-bromo-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-bromo-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-5-bromo-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5S/c1-13-20(24)18(22(25)26)17(12-14-6-4-3-5-7-14)19(23)21(13)30(27,28)16-10-8-15(29-2)9-11-16/h3-11H,12,24H2,1-2H3,(H,25,26)