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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-2-22(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)23-9-3-4-10-23/h5-8,13-14H,2-4,9-12,15H2,1H3