4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C22H30FN4O3S+ MolecularWeight: 449.562003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN4O3S/c1-17-16-19(27-14-12-26(2)13-15-27)7-10-21(17)25-22(28)4-3-11-24-31(29,30)20-8-5-18(23)6-9-20/h5-10,16,24H,3-4,11-15H2,1-2H3,(H,25,28)/p+1