N-(furan-2-ylmethyl)-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H24N3O4S2+ MolecularWeight: 446.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H23N3O4S2/c25-21(24-10-8-23(9-11-24)15-17-7-13-29-16-17)18-3-5-20(6-4-18)30(26,27)22-14-19-2-1-12-28-19/h1-7,12-13,16,22H,8-11,14-15H2/p+1