N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-[4-(diethylamino)phenyl]methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: diethyl-[4-[(E)-[(4-morpholinosulfonyl-2-nitro-phenyl)hydrazono]methyl]phenyl]amine Formula: C21H27N5O5S MolecularWeight: 461.53458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-3-24(4-2)18-7-5-17(6-8-18)16-22-23-20-10-9-19(15-21(20)26(27)28)32(29,30)25-11-13-31-14-12-25/h5-10,15-16,23H,3-4,11-14H2,1-2H3/b22-16+