N-(furan-2-ylmethyl)-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[(E)-3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]prop-1-enyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[(E)-3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)prop-1-enyl]benzenesulfonamide Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H24N4O4S/c28-23(27-15-13-26(14-16-27)22-5-1-2-12-24-22)11-8-19-6-9-21(10-7-19)32(29,30)25-18-20-4-3-17-31-20/h1-12,17,25H,13-16,18H2/p+1/b11-8+