4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c16-25(21,22)11-5-6-12(13(7-11)18(19)20)17-8-10-9-23-14-3-1-2-4-15(14)24-10/h1-7,10,17H,8-9H2,(H2,16,21,22)/t10-/m1/s1