7-[methylsulfonyl-[[4-[(E)-2-phenylethenyl]phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[[4-[(E)-2-phenylethenyl]phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[[4-[(E)-styryl]phenyl]methyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[[4-[(E)-2-phenylethenyl]phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[[4-[(E)-2-phenylethenyl]phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[4-[(E)-styryl]benzyl]amino]enanthic acid Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C=CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H29NO4S/c1-29(27,28)24(18-8-3-2-7-11-23(25)26)19-22-16-14-21(15-17-22)13-12-20-9-5-4-6-10-20/h4-6,9-10,12-17H,2-3,7-8,11,18-19H2,1H3,(H,25,26)/b13-12+