2-oxidanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: 2-oxo-N-[2-(3-thienylmethylsulfanyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: 2-oxo-N-[2-(3-thiophenylmethylthio)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: 2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[2-(3-thenylthio)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C16H18N2O3S3 MolecularWeight: 382.52072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCSCC3=CSC=C3

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C16H18N2O3S3/c19-16-4-1-13-9-14(2-3-15(13)18-16)24(20,21)17-6-8-23-11-12-5-7-22-10-12/h2-3,5,7,9-10,17H,1,4,6,8,11H2,(H,18,19)