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

Systemtic Name: N-[[1-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-3-nitro-benzenesulfonamide CAS Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide Traditional Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-3-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/c22-16-4-5-20-21(10-16)31-18(14-30-20)13-24-8-6-15(7-9-24)12-23-32(28,29)19-3-1-2-17(11-19)25(26)27/h1-5,10-11,15,18,23H,6-9,12-14H2