N-(furan-2-ylmethyl)-4-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[(E)-3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]prop-1-enyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[(E)-3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C24H30N4O5S/c29-23(28-15-13-26(14-16-28)19-24(30)27-11-1-2-12-27)10-7-20-5-8-22(9-6-20)34(31,32)25-18-21-4-3-17-33-21/h3-10,17,25H,1-2,11-16,18-19H2/p+1/b10-7+