2-oxidanylidene-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-quinoline-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-quinoline-6-sulfonamide Openeye Name: 2-oxo-N-[[1-[2-(2-thienyl)ethyl]-4-piperidyl]methyl]-1H-quinoline-6-sulfonamide CAS Name: 2-oxo-N-[[1-(2-thiophen-2-ylethyl)-4-piperidinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: 2-oxo-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[[1-[2-(2-thienyl)ethyl]-4-piperidyl]methyl]-1H-quinoline-6-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3)CCC4=CC=CS4

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3)CCC4=CC=CS4

InChI

InChI=1S/C21H25N3O3S2/c25-21-6-3-17-14-19(4-5-20(17)23-21)29(26,27)22-15-16-7-10-24(11-8-16)12-9-18-2-1-13-28-18/h1-6,13-14,16,22H,7-12,15H2,(H,23,25)