N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c25-24(26)19-15-17(31(27,28)23-10-2-1-3-11-23)5-6-18(19)22-9-8-16-4-7-20-21(14-16)30-13-12-29-20/h4-7,14-15,22H,1-3,8-13H2