N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide

Systemtic Name: N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Openeye Name: N-[(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide CAS Name: N-[(2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide IUPAC Name: N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Traditional Name: N-[(1R)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(4-phenoxyphenyl)methanesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-17(21(25)23-15-13-22(2)14-16-23)24(29(3,26)27)18-9-11-20(12-10-18)28-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3/p+1/t17-/m1/s1