1-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-20(23-13-5-9-17-18(21(25)26)8-4-10-19(17)23)15-6-3-7-16(14-15)29(27,28)22-11-1-2-12-22/h3-4,6-8,10,14H,1-2,5,9,11-13H2,(H,25,26)