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

Systemtic Name: 5-bromanyl-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C24H20BrNO6S MolecularWeight: 530.3877

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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)OCC#CC3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC(=CC=C3)O

InChI

InChI=1S/C24H20BrNO6S/c1-16-13-18(25)15-22(24(28)29)23(16)26(2)33(30,31)21-10-8-20(9-11-21)32-12-4-6-17-5-3-7-19(27)14-17/h3,5,7-11,13-15,27H,12H2,1-2H3,(H,28,29)