7-[methylsulfonyl-[(E)-4-phenylbut-3-enyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[(E)-4-phenylbut-3-enyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[(E)-4-phenylbut-3-enyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[(E)-4-phenylbut-3-enyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[(E)-4-phenylbut-3-enyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[(E)-4-phenylbut-3-enyl]amino]enanthic acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CCC=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-24(22,23)19(15-9-3-2-7-14-18(20)21)16-10-8-13-17-11-5-4-6-12-17/h4-6,8,11-13H,2-3,7,9-10,14-16H2,1H3,(H,20,21)/b13-8+