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

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-[4-(methylthio)benzylidene]amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-28-15-4-2-14(3-5-15)13-19-20-17-7-6-16(12-18(17)22(23)24)29(25,26)21-8-10-27-11-9-21/h2-7,12-13,20H,8-11H2,1H3/b19-13+