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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-[(4-fluorophenyl)-methyl-amino]-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(4-fluoro-N-methyl-anilino)-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-(4-fluoro-N-methylanilino)-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(4-fluoro-N-methylanilino)-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(4-fluoro-N-methyl-anilino)-5-mesyl-benzamide Formula: C18H21FN4O3S MolecularWeight: 392.447743

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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=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3S/c1-4-11-9-15(23(2)13-7-5-12(19)6-8-13)16(27(3,25)26)10-14(11)17(24)22-18(20)21/h5-10H,4H2,1-3H3,(H4,20,21,22,24)