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

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-4-27-18-8-13-7-12(2)28-19(13)9-14(18)11-21-16-6-5-15(29(25,26)20-3)10-17(16)22(23)24/h5-6,8-10,12,20-21H,4,7,11H2,1-3H3/t12-/m0/s1