1-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(2-thienylsulfonyl)piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(2-thienylsulfonyl)nipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C20H22N2O5S2/c23-19(22-11-3-7-15-16(20(24)25)6-1-8-17(15)22)14-5-2-10-21(13-14)29(26,27)18-9-4-12-28-18/h1,4,6,8-9,12,14H,2-3,5,7,10-11,13H2,(H,24,25)