N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 1-(1,3-benzodioxol-5-yl)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-10(11-3-6-15-16(7-11)24-9-23-15)17-13-5-4-12(25(2,21)22)8-14(13)18(19)20/h3-8,10,17H,9H2,1-2H3