(E)-2-[[(E)-2-(3-bromophenyl)ethenyl]sulfonylamino]-2-cyclohexyl-hept-5-enoic acid

Systemtic Name: (E)-2-[[(E)-2-(3-bromophenyl)ethenyl]sulfonylamino]-2-cyclohexyl-hept-5-enoic acid Openeye Name: (E)-2-[[(E)-2-(3-bromophenyl)vinyl]sulfonylamino]-2-cyclohexyl-hept-5-enoic acid CAS Name: (E)-2-[[(E)-2-(3-bromophenyl)ethenyl]sulfonylamino]-2-cyclohexyl-5-heptenoic acid IUPAC Name: (E)-2-[[(E)-2-(3-bromophenyl)ethenyl]sulfonylamino]-2-cyclohexylhept-5-enoic acid Traditional Name: (E)-2-[[(E)-2-(3-bromophenyl)vinyl]sulfonylamino]-2-cyclohexyl-hept-5-enoic acid Formula: C21H28BrNO4S MolecularWeight: 470.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

C/C=C/CCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C21H28BrNO4S/c1-2-3-7-14-21(20(24)25,18-10-5-4-6-11-18)23-28(26,27)15-13-17-9-8-12-19(22)16-17/h2-3,8-9,12-13,15-16,18,23H,4-7,10-11,14H2,1H3,(H,24,25)/b3-2+,15-13+