4-[(E)-C-methyl-N-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]carbonimidoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-C-methyl-N-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]carbonimidoyl]benzenecarbonitrile Openeye Name: 4-[(E)-C-methyl-N-(4-morpholinosulfonyl-2-nitro-anilino)carbonimidoyl]benzonitrile CAS Name: 4-[(1E)-1-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]hydrazinylidene]ethyl]benzonitrile IUPAC Name: 4-[(E)-C-methyl-N-(4-morpholin-4-ylsulfonyl-2-nitroanilino)carbonimidoyl]benzonitrile Traditional Name: 4-[(E)-C-methyl-N-(4-morpholinosulfonyl-2-nitro-anilino)carbonimidoyl]benzonitrile Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5O5S/c1-14(16-4-2-15(13-20)3-5-16)21-22-18-7-6-17(12-19(18)24(25)26)30(27,28)23-8-10-29-11-9-23/h2-7,12,22H,8-11H2,1H3/b21-14+