4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid Openeye Name: 4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid CAS Name: 4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid Traditional Name: 4-methoxy-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C18H19NO5S/c1-12-5-7-15-13(10-12)4-3-9-19(15)25(22,23)17-11-14(18(20)21)6-8-16(17)24-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)