N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-furamide Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N3O4S/c1-18-16-20(8-9-22(18)27-13-11-26(2)12-14-27)25-24(28)23-19(10-15-31-23)17-32(29,30)21-6-4-3-5-7-21/h3-10,15-16H,11-14,17H2,1-2H3,(H,25,28)/p+1