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

Systemtic Name: N-methyl-N-[4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[4-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethoxy]phenyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N4O4S2/c1-25(33(29,30)23-3-2-16-32-23)20-4-6-21(7-5-20)31-18-22(28)27-14-12-26(13-15-27)17-19-8-10-24-11-9-19/h2-11,16H,12-15,17-18H2,1H3/p+1