3-(4-bromophenyl)-3-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-3-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]-3-(4-bromophenyl)propanoic acid CAS Name: 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-(4-bromophenyl)propanoic acid IUPAC Name: 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-(4-bromophenyl)propanoic acid Traditional Name: 3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]-3-(4-bromophenyl)propionic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-12-9-15-10-17(7-8-19(15)23(12)13(2)24)29(27,28)22-18(11-20(25)26)14-3-5-16(21)6-4-14/h3-8,10,12,18,22H,9,11H2,1-2H3,(H,25,26)