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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-22(14-16-15-29-20-7-3-4-8-21(20)30-16)18-10-9-17(13-19(18)24(25)26)31(27,28)23-11-5-2-6-12-23/h3-4,7-10,13,16H,2,5-6,11-12,14-15H2,1H3