N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-4-26-18-8-13-7-12(2)27-19(13)9-14(18)11-20-16-6-5-15(28(3,24)25)10-17(16)21(22)23/h5-6,8-10,12,20H,4,7,11H2,1-3H3/t12-/m0/s1