N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-3-20-13-15(26-18-7-5-4-6-17(18)20)12-19(2)27(24,25)16-10-8-14(9-11-16)21(22)23/h4-11,15H,3,12-13H2,1-2H3