N-[[1-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[1-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-2-nitro-benzenesulfonamide Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3COC4=C(O3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3COC4=C(O3)C=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3O6S/c22-16-5-6-19-20(11-16)31-17(14-30-19)13-24-9-7-15(8-10-24)12-23-32(28,29)21-4-2-1-3-18(21)25(26)27/h1-6,11,15,17,23H,7-10,12-14H2