N-[bis(azanyl)methylidene]-2-butyl-3-(4-ethylphenyl)-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-butyl-3-(4-ethylphenyl)-5-methylsulfonyl-benzamide Openeye Name: 2-butyl-N-(diaminomethylene)-3-(4-ethylphenyl)-5-methylsulfonyl-benzamide CAS Name: 2-butyl-N-(diaminomethylidene)-3-(4-ethylphenyl)-5-methylsulfonylbenzamide IUPAC Name: 2-butyl-N-(diaminomethylidene)-3-(4-ethylphenyl)-5-methylsulfonylbenzamide Traditional Name: 2-butyl-N-(diaminomethylene)-3-(4-ethylphenyl)-5-mesyl-benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1C2=CC=C(C=C2)CC)S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CCCCC1=C(C=C(C=C1C2=CC=C(C=C2)CC)S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C21H27N3O3S/c1-4-6-7-17-18(15-10-8-14(5-2)9-11-15)12-16(28(3,26)27)13-19(17)20(25)24-21(22)23/h8-13H,4-7H2,1-3H3,(H4,22,23,24,25)