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

Systemtic Name: 5-bromanyl-2-[[4-(4-bromanylbut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C19H17Br2NO5S MolecularWeight: 531.21498

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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#CCBr

Isomeric SMILES

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

InChI

InChI=1S/C19H17Br2NO5S/c1-13-11-14(21)12-17(19(23)24)18(13)22(2)28(25,26)16-7-5-15(6-8-16)27-10-4-3-9-20/h5-8,11-12H,9-10H2,1-2H3,(H,23,24)