N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O6S/c23-22(24)14-7-8-16(19(11-14)29(25,26)21-9-3-4-10-21)20-12-15-13-27-17-5-1-2-6-18(17)28-15/h1-2,5-8,11,15,20H,3-4,9-10,12-13H2/t15-/m1/s1