benzene; (E)-2-cyclohexyl-2-[[(E)-2-phenylethenyl]sulfonylamino]hept-5-enoic acid

Systemtic Name: benzene; (E)-2-cyclohexyl-2-[[(E)-2-phenylethenyl]sulfonylamino]hept-5-enoic acid Openeye Name: benzene; (E)-2-cyclohexyl-2-[[(E)-styryl]sulfonylamino]hept-5-enoic acid CAS Name: benzene; (E)-2-cyclohexyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-5-heptenoic acid IUPAC Name: benzene; (E)-2-cyclohexyl-2-[[(E)-2-phenylethenyl]sulfonylamino]hept-5-enoic acid Traditional Name: benzene; (E)-2-cyclohexyl-2-[[(E)-styryl]sulfonylamino]hept-5-enoic acid Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)C=CC2=CC=CC=C2.C1=CC=CC=C1

Isomeric SMILES

C/C=C/CCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)/C=C/C2=CC=CC=C2.C1=CC=CC=C1

InChI

InChI=1S/C21H29NO4S.C6H6/c1-2-3-10-16-21(20(23)24,19-13-8-5-9-14-19)22-27(25,26)17-15-18-11-6-4-7-12-18;1-2-4-6-5-3-1/h2-4,6-7,11-12,15,17,19,22H,5,8-10,13-14,16H2,1H3,(H,23,24);1-6H/b3-2+,17-15+;