8-[[6-[(4-aminophenyl)carbonylamino]-2-methyl-quinolin-4-yl]amino]-6-sulfinooxy-naphthalene-1,3-disulfonic acid

Systemtic Name: 8-[[6-[(4-aminophenyl)carbonylamino]-2-methyl-quinolin-4-yl]amino]-6-sulfinooxy-naphthalene-1,3-disulfonic acid Openeye Name: 8-[[6-[(4-aminobenzoyl)amino]-2-methyl-4-quinolyl]amino]-6-sulfinooxy-naphthalene-1,3-disulfonic acid CAS Name: 8-[[6-[[(4-aminophenyl)-oxomethyl]amino]-2-methyl-4-quinolinyl]amino]-6-sulfinooxynaphthalene-1,3-disulfonic acid IUPAC Name: 8-[[6-[(4-aminobenzoyl)amino]-2-methylquinolin-4-yl]amino]-6-sulfinooxynaphthalene-1,3-disulfonic acid Traditional Name: 8-[[6-[(4-aminobenzoyl)amino]-2-methyl-4-quinolyl]amino]-6-sulfinooxy-naphthalene-1,3-disulfonic acid Formula: C27H22N4O10S3 MolecularWeight: 658.67938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N)C(=C1)NC4=C5C(=CC(=C4)OS(=O)O)C=C(C=C5S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N)C(=C1)NC4=C5C(=CC(=C4)OS(=O)O)C=C(C=C5S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H22N4O10S3/c1-14-8-23(21-11-18(6-7-22(21)29-14)30-27(32)15-2-4-17(28)5-3-15)31-24-12-19(41-42(33)34)9-16-10-20(43(35,36)37)13-25(26(16)24)44(38,39)40/h2-13H,28H2,1H3,(H,29,31)(H,30,32)(H,33,34)(H,35,36,37)(H,38,39,40)