4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide

Systemtic Name: 4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide Openeye Name: 4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide CAS Name: 4-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-18(20-6-4-3-5-7-20)23-29(27,28)21-11-8-19(9-12-21)10-13-22(26)25-16-14-24(2)15-17-25/h3-9,11-12,18,23H,10,13-17H2,1-2H3/p+1/t18-/m1/s1