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

Systemtic Name: 5-bromanyl-3-methyl-2-[methyl-(4-pent-2-ynoxyphenyl)sulfonyl-amino]benzoic acid Openeye Name: 5-bromo-3-methyl-2-[methyl-(4-pent-2-ynoxyphenyl)sulfonyl-amino]benzoic acid CAS Name: 5-bromo-3-methyl-2-[methyl-(4-pent-2-ynoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-bromo-3-methyl-2-[methyl-(4-pent-2-ynoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 5-bromo-3-methyl-2-[methyl-(4-pent-2-ynoxyphenyl)sulfonyl-amino]benzoic acid Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)O)Br)C

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)O)Br)C

InChI

InChI=1S/C20H20BrNO5S/c1-4-5-6-11-27-16-7-9-17(10-8-16)28(25,26)22(3)19-14(2)12-15(21)13-18(19)20(23)24/h7-10,12-13H,4,11H2,1-3H3,(H,23,24)