N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C[C@@H](OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O6S/c1-3-24-16-18(32-21-7-5-4-6-19(21)24)15-23(2)20-9-8-17(26(27)28)14-22(20)33(29,30)25-10-12-31-13-11-25/h4-9,14,18H,3,10-13,15-16H2,1-2H3/t18-/m0/s1