N-[bis(azanyl)methylidene]-4-(4-chlorophenyl)-2-ethynyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-chlorophenyl)-2-ethynyl-3-methylsulfonyl-benzamide Openeye Name: 4-(4-chlorophenyl)-N-(diaminomethylene)-2-ethynyl-3-methylsulfonyl-benzamide CAS Name: 4-(4-chlorophenyl)-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide IUPAC Name: 4-(4-chlorophenyl)-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide Traditional Name: 4-(4-chlorophenyl)-N-(diaminomethylene)-2-ethynyl-3-mesyl-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1C#C)C(=O)N=C(N)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1C#C)C(=O)N=C(N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-3-12-14(16(22)21-17(19)20)9-8-13(15(12)25(2,23)24)10-4-6-11(18)7-5-10/h1,4-9H,2H3,(H4,19,20,21,22)