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

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(4-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=C(C=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

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

InChI

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