4-chloranyl-3-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[(6-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=CC2=CC3=C(N=C2C=C1)N(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

COC1=CC2=CC3=C(N=C2C=C1)N(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

InChI

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