4-chloranyl-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC3=C(N=C21)N(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

COC1=CC=CC2=CC3=C(N=C21)N(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O5S/c1-27-15-4-2-3-11-9-12-7-8-22(18(12)21-17(11)15)28(25,26)16-10-13(19(23)24)5-6-14(16)20/h2-6,9-10H,7-8H2,1H3,(H,23,24)