methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoate Openeye Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-heptyl]phenyl]butanoate CAS Name: 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethylheptyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]-6,6-dimethylheptyl]phenyl]butanoate Traditional Name: 4-[4-[1-(brosylamino)-6,6-dimethyl-heptyl]phenyl]butyric acid methyl ester Formula: C26H36BrNO4S MolecularWeight: 538.53734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36BrNO4S/c1-26(2,3)19-6-5-9-24(28-33(30,31)23-17-15-22(27)16-18-23)21-13-11-20(12-14-21)8-7-10-25(29)32-4/h11-18,24,28H,5-10,19H2,1-4H3