N-methyl-N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-methyl-N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]phenyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide Formula: C22H25N4O4S2+ MolecularWeight: 473.5883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N4O4S2/c1-24(32(28,29)22-6-4-16-31-22)18-7-9-19(10-8-18)30-17-21(27)26-14-12-25(13-15-26)20-5-2-3-11-23-20/h2-11,16H,12-15,17H2,1H3/p+1