4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoic acid Openeye Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoic acid CAS Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethylheptyl]phenyl]butanoic acid IUPAC Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethylheptyl]phenyl]butanoic acid Traditional Name: 4-[4-[1-(brosylamino)-6,6-dimethyl-heptyl]phenyl]butyric acid Formula: C25H34BrNO4S MolecularWeight: 524.51076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34BrNO4S/c1-25(2,3)18-5-4-8-23(27-32(30,31)22-16-14-21(26)15-17-22)20-12-10-19(11-13-20)7-6-9-24(28)29/h10-17,23,27H,4-9,18H2,1-3H3,(H,28,29)