(E)-6-[2-[[(4-bromanyl-2-methyl-phenyl)sulfonylamino]methyl]cyclohexyl]hex-5-enoic acid

Systemtic Name: (E)-6-[2-[[(4-bromanyl-2-methyl-phenyl)sulfonylamino]methyl]cyclohexyl]hex-5-enoic acid Openeye Name: (E)-6-[2-[[(4-bromo-2-methyl-phenyl)sulfonylamino]methyl]cyclohexyl]hex-5-enoic acid CAS Name: (E)-6-[2-[[(4-bromo-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-5-hexenoic acid IUPAC Name: (E)-6-[2-[[(4-bromo-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]hex-5-enoic acid Traditional Name: (E)-6-[2-[[(4-bromo-2-methyl-phenyl)sulfonylamino]methyl]cyclohexyl]hex-5-enoic acid Formula: C20H28BrNO4S MolecularWeight: 458.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NCC2CCCCC2C=CCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NCC2CCCCC2/C=C/CCCC(=O)O

InChI

InChI=1S/C20H28BrNO4S/c1-15-13-18(21)11-12-19(15)27(25,26)22-14-17-9-6-5-8-16(17)7-3-2-4-10-20(23)24/h3,7,11-13,16-17,22H,2,4-6,8-10,14H2,1H3,(H,23,24)/b7-3+