5-bromanyl-3-methyl-2-[methyl-[4-(4-pyrrolidin-1-ylbut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid

Systemtic Name: 5-bromanyl-3-methyl-2-[methyl-[4-(4-pyrrolidin-1-ylbut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid Openeye Name: 5-bromo-3-methyl-2-[methyl-[4-(4-pyrrolidin-1-ylbut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid CAS Name: 5-bromo-3-methyl-2-[methyl-[4-[4-(1-pyrrolidinyl)but-2-ynoxy]phenyl]sulfonylamino]benzoic acid IUPAC Name: 5-bromo-3-methyl-2-[methyl-[4-(4-pyrrolidin-1-ylbut-2-ynoxy)phenyl]sulfonylamino]benzoic acid Traditional Name: 5-bromo-3-methyl-2-[methyl-[4-(4-pyrrolidinobut-2-ynoxy)phenyl]sulfonyl-amino]benzoic acid Formula: C23H25BrN2O5S MolecularWeight: 521.424

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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#CCN3CCCC3

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCN3CCCC3

InChI

InChI=1S/C23H25BrN2O5S/c1-17-15-18(24)16-21(23(27)28)22(17)25(2)32(29,30)20-9-7-19(8-10-20)31-14-6-5-13-26-11-3-4-12-26/h7-10,15-16H,3-4,11-14H2,1-2H3,(H,27,28)