4-ethanoyl-N-methyl-N-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-methyl-N-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Openeye Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide CAS Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]butyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-keto-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]-N-methyl-benzenesulfonamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-21(29)22-10-12-24(13-11-22)34(31,32)26(2)14-6-9-25(30)28-17-15-27(16-18-28)19-20-33-23-7-4-3-5-8-23/h3-5,7-8,10-13H,6,9,14-20H2,1-2H3/p+1