N,N-dimethyl-1-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

Systemtic Name: N,N-dimethyl-1-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Openeye Name: N,N-dimethyl-1-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide CAS Name: N,N-dimethyl-1-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide IUPAC Name: N,N-dimethyl-1-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Traditional Name: N,N-dimethyl-1-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-19(2)27(24,25)15-8-9-16-14(12-15)6-5-10-20(16)17(22)13-26-18-7-3-4-11-21(18)23/h3-4,7-9,11-12H,5-6,10,13H2,1-2H3