N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: ethyl-(2-nitro-4-piperidinosulfonyl-phenyl)-piperonyl-amine Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-2-22(14-16-6-9-20-21(12-16)30-15-29-20)18-8-7-17(13-19(18)24(25)26)31(27,28)23-10-4-3-5-11-23/h6-9,12-13H,2-5,10-11,14-15H2,1H3