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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-[methyl(pyridin-4-yl)amino]-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-[methyl(4-pyridyl)amino]-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-[methyl(pyridin-4-yl)amino]-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-[methyl(pyridin-4-yl)amino]-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-[methyl(4-pyridyl)amino]benzamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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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=NC=C2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N(C)C2=CC=NC=C2

InChI

InChI=1S/C17H21N5O3S/c1-4-11-9-14(22(2)12-5-7-20-8-6-12)15(26(3,24)25)10-13(11)16(23)21-17(18)19/h5-10H,4H2,1-3H3,(H4,18,19,21,23)