N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11(12-3-6-16-17(9-12)25-8-7-24-16)18-14-5-4-13(26(2,22)23)10-15(14)19(20)21/h3-6,9-11,18H,7-8H2,1-2H3/t11-/m1/s1