N-[bis(azanyl)methylidene]-4-[(2-cyanophenyl)-methyl-amino]-2-ethyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[(2-cyanophenyl)-methyl-amino]-2-ethyl-5-methylsulfonyl-benzamide Openeye Name: 4-(2-cyano-N-methyl-anilino)-N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-benzamide CAS Name: 4-(2-cyano-N-methylanilino)-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide IUPAC Name: 4-(2-cyano-N-methylanilino)-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide Traditional Name: 4-(2-cyano-N-methyl-anilino)-N-(diaminomethylene)-2-ethyl-5-mesyl-benzamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N(C)C2=CC=CC=C2C#N

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N(C)C2=CC=CC=C2C#N

InChI

InChI=1S/C19H21N5O3S/c1-4-12-9-16(24(2)15-8-6-5-7-13(15)11-20)17(28(3,26)27)10-14(12)18(25)23-19(21)22/h5-10H,4H2,1-3H3,(H4,21,22,23,25)