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

Systemtic Name: 5-bromanyl-3-methyl-2-[methyl-[4-[4-(oxan-2-yloxy)but-2-ynoxy]phenyl]sulfonyl-amino]benzoic acid Openeye Name: 5-bromo-3-methyl-2-[methyl-[4-(4-tetrahydropyran-2-yloxybut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid CAS Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(2-oxanyloxy)but-2-ynoxy]phenyl]sulfonylamino]benzoic acid IUPAC Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(oxan-2-yloxy)but-2-ynoxy]phenyl]sulfonylamino]benzoic acid Traditional Name: 5-bromo-3-methyl-2-[methyl-[4-(4-tetrahydropyran-2-yloxybut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid Formula: C24H26BrNO7S MolecularWeight: 552.43474

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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#CCOC3CCCCO3

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC3CCCCO3

InChI

InChI=1S/C24H26BrNO7S/c1-17-15-18(25)16-21(24(27)28)23(17)26(2)34(29,30)20-10-8-19(9-11-20)31-12-5-6-14-33-22-7-3-4-13-32-22/h8-11,15-16,22H,3-4,7,12-14H2,1-2H3,(H,27,28)