2-chloranyl-5-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Openeye Name: 2-chloro-5-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic acid Traditional Name: 2-chloro-5-[(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=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

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

InChI

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