N-[(E)-(4-tert-butylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(4-tert-butylphenyl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-(4-tert-butylbenzylidene)amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-21(2,3)17-6-4-16(5-7-17)15-22-23-19-9-8-18(14-20(19)25(26)27)31(28,29)24-10-12-30-13-11-24/h4-9,14-15,23H,10-13H2,1-3H3/b22-15+