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

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-22-31(27,28)16-5-6-17(18(13-16)24(25)26)23-14-21(8-2-3-9-21)15-4-7-19-20(12-15)30-11-10-29-19/h4-7,12-13,22-23H,2-3,8-11,14H2,1H3