N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H21N3O4S/c1-19-8-10-20(11-9-19)17(21)14-4-6-16(7-5-14)25(22,23)18-13-15-3-2-12-24-15/h2-7,12,18H,8-11,13H2,1H3/p+1