(E)-2-[[(4-bromanyl-2-methyl-phenyl)sulfonylamino]methyl]-6-cyclohex-2-en-1-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[[(4-bromanyl-2-methyl-phenyl)sulfonylamino]methyl]-6-cyclohex-2-en-1-yl-hex-5-enoic acid Openeye Name: (E)-2-[[(4-bromo-2-methyl-phenyl)sulfonylamino]methyl]-6-cyclohex-2-en-1-yl-hex-5-enoic acid CAS Name: (E)-2-[[(4-bromo-2-methylphenyl)sulfonylamino]methyl]-6-(1-cyclohex-2-enyl)-5-hexenoic acid IUPAC Name: (E)-2-[[(4-bromo-2-methylphenyl)sulfonylamino]methyl]-6-cyclohex-2-en-1-ylhex-5-enoic acid Traditional Name: (E)-2-[[(4-bromo-2-methyl-phenyl)sulfonylamino]methyl]-6-cyclohex-2-en-1-yl-hex-5-enoic acid Formula: C20H26BrNO4S MolecularWeight: 456.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NCC(CCC=CC2CCCC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NCC(CC/C=C/C2CCCC=C2)C(=O)O

InChI

InChI=1S/C20H26BrNO4S/c1-15-13-18(21)11-12-19(15)27(25,26)22-14-17(20(23)24)10-6-5-9-16-7-3-2-4-8-16/h3,5,7,9,11-13,16-17,22H,2,4,6,8,10,14H2,1H3,(H,23,24)/b9-5+