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

Systemtic Name: 5-bromanyl-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-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#CCNC3CCC3

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCNC3CCC3

InChI

InChI=1S/C23H25BrN2O5S/c1-16-14-17(24)15-21(23(27)28)22(16)26(2)32(29,30)20-10-8-19(9-11-20)31-13-4-3-12-25-18-6-5-7-18/h8-11,14-15,18,25H,5-7,12-13H2,1-2H3,(H,27,28)