4-[(4-azanyl-3-methylsulfonyl-phenyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-azanyl-3-methylsulfonyl-phenyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-amino-3-methylsulfonyl-anilino)-3-nitro-benzonitrile CAS Name: 4-(4-amino-3-methylsulfonylanilino)-3-nitrobenzonitrile IUPAC Name: 4-(4-amino-3-methylsulfonylanilino)-3-nitrobenzonitrile Traditional Name: 4-(4-amino-3-mesyl-anilino)-3-nitro-benzonitrile Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

InChI

InChI=1S/C14H12N4O4S/c1-23(21,22)14-7-10(3-4-11(14)16)17-12-5-2-9(8-15)6-13(12)18(19)20/h2-7,17H,16H2,1H3