N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: 4-morpholinosulfonyl-N-[(E)-m-tolylmethyleneamino]-2-nitro-aniline CAS Name: N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-(3-methylbenzylidene)amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-14-3-2-4-15(11-14)13-19-20-17-6-5-16(12-18(17)22(23)24)28(25,26)21-7-9-27-10-8-21/h2-6,11-13,20H,7-10H2,1H3/b19-13+