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

Systemtic Name: 4-ethanoyl-N-[(2R)-1-oxidanylidene-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: 4-acetyl-N-[(1R)-1-methyl-2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[(2R)-1-oxo-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[(2R)-1-oxo-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Traditional Name: 4-acetyl-N-[(1R)-2-keto-1-methyl-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CCOC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CCOC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N3O5S/c1-18(24-32(29,30)22-10-8-20(9-11-22)19(2)27)23(28)26-14-12-25(13-15-26)16-17-31-21-6-4-3-5-7-21/h3-11,18,24H,12-17H2,1-2H3/p+1/t18-/m1/s1