N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzenesulfonamide Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H29N3O5S/c1-18(28)20-3-5-22(6-4-20)33(30,31)25-10-8-24(29)27-13-11-26(12-14-27)17-19-2-7-23-21(16-19)9-15-32-23/h2-7,16,25H,8-15,17H2,1H3/p+1