5-bromanyl-2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C15H14BrNO5S MolecularWeight: 400.24436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H14BrNO5S/c1-9-7-10(16)8-13(15(19)20)14(9)17(2)23(21,22)12-5-3-11(18)4-6-12/h3-8,18H,1-2H3,(H,19,20)