2-[[4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(1-mesyl-2-methyl-indoline-5-carbonyl)amino]phenyl]sulfonylamino]acetic acid Formula: C19H21N3O7S2 MolecularWeight: 467.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C19H21N3O7S2/c1-12-9-14-10-13(3-8-17(14)22(12)30(2,26)27)19(25)21-15-4-6-16(7-5-15)31(28,29)20-11-18(23)24/h3-8,10,12,20H,9,11H2,1-2H3,(H,21,25)(H,23,24)