N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-22(15-16-5-8-20-21(13-16)30-12-11-29-20)18-7-6-17(14-19(18)24(25)26)31(27,28)23-9-3-2-4-10-23/h5-8,13-14H,2-4,9-12,15H2,1H3