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

Systemtic Name: 5-bromanyl-3-methyl-2-[methyl-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-amino]benzoic acid Openeye Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-amino]benzoic acid CAS Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonylamino]benzoic acid IUPAC Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonylamino]benzoic acid Traditional Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-amino]benzoic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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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#CCNC

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-14-12-15(21)13-18(20(24)25)19(14)23(3)29(26,27)17-8-6-16(7-9-17)28-11-5-4-10-22-2/h6-9,12-13,22H,10-11H2,1-3H3,(H,24,25)