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

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-3-nitro-benzenesulfonamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c21-31(27,28)15-2-3-16(17(12-15)23(25)26)22-7-5-13(6-8-22)20(24)14-1-4-18-19(11-14)30-10-9-29-18/h1-4,11-13H,5-10H2,(H2,21,27,28)