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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-11-15(29(25,26)21-9-3-4-10-21)7-8-16(17)20-12-14-13-27-18-5-1-2-6-19(18)28-14/h1-2,5-8,11,14,20H,3-4,9-10,12-13H2/t14-/m1/s1