4-[4-[1-[(4-bromophenyl)sulfonylamino]-4-methyl-pentyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-4-methyl-pentyl]phenyl]butanoic acid Openeye Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-4-methyl-pentyl]phenyl]butanoic acid CAS Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-4-methylpentyl]phenyl]butanoic acid IUPAC Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-4-methylpentyl]phenyl]butanoic acid Traditional Name: 4-[4-[1-(brosylamino)-4-methyl-pentyl]phenyl]butyric acid Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H28BrNO4S/c1-16(2)6-15-21(24-29(27,28)20-13-11-19(23)12-14-20)18-9-7-17(8-10-18)4-3-5-22(25)26/h7-14,16,21,24H,3-6,15H2,1-2H3,(H,25,26)