2-[[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]phenyl]sulfonylamino]acetic acid Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C19H21N3O7S2/c1-30(26,27)22-10-2-3-13-11-14(4-9-17(13)22)19(25)21-15-5-7-16(8-6-15)31(28,29)20-12-18(23)24/h4-9,11,20H,2-3,10,12H2,1H3,(H,21,25)(H,23,24)