3-[(4-bromophenyl)sulfonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-2-indan-5-yl-propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid Traditional Name: 3-(brosylamino)-2-indan-5-yl-propionic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-11-17(18(21)22)14-5-4-12-2-1-3-13(12)10-14/h4-10,17,20H,1-3,11H2,(H,21,22)