N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-amine Openeye Name: N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-amine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-amine IUPAC Name: N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-6-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-13-15(29(25,26)21-8-2-1-3-9-21)5-6-16(17)20-14-4-7-18-19(12-14)28-11-10-27-18/h4-7,12-13,20H,1-3,8-11H2