N-[bis(azanyl)methylidene]-2-ethyl-4-(3-methylphenyl)sulfonyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-(3-methylphenyl)sulfonyl-5-nitro-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(m-tolylsulfonyl)-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-(3-methylphenyl)sulfonyl-5-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(3-methylphenyl)sulfonyl-5-nitrobenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(m-tolylsulfonyl)-5-nitro-benzamide Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C17H18N4O5S/c1-3-11-8-15(27(25,26)12-6-4-5-10(2)7-12)14(21(23)24)9-13(11)16(22)20-17(18)19/h4-9H,3H2,1-2H3,(H4,18,19,20,22)