methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-5,5-dimethyl-hexyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-5,5-dimethyl-hexyl]phenyl]butanoate Openeye Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-5,5-dimethyl-hexyl]phenyl]butanoate CAS Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-5,5-dimethylhexyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-5,5-dimethylhexyl]phenyl]butanoate Traditional Name: 4-[4-[1-(brosylamino)-5,5-dimethyl-hexyl]phenyl]butyric acid methyl ester Formula: C25H34BrNO4S MolecularWeight: 524.51076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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