4-oxidanylidene-6-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-6-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1H-quinoline-3-carboxylic acid Openeye Name: 6-[(4-benzyl-1-piperidyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(4-benzylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(4-benzylpiperidino)sulfonyl-4-keto-1H-quinoline-3-carboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c25-21-18-13-17(6-7-20(18)23-14-19(21)22(26)27)30(28,29)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,23,25)(H,26,27)