4-[4-(2-acetamidoethyl)phenoxy]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide

Systemtic Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide Openeye Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(diaminomethylene)-3-mesyl-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C19H22N4O5S/c1-12(24)22-10-9-13-3-6-15(7-4-13)28-16-8-5-14(18(25)23-19(20)21)11-17(16)29(2,26)27/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H4,20,21,23,25)