N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(3-phenylpropylamino)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(3-phenylpropylamino)benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-(3-phenylpropylamino)benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(3-phenylpropylamino)benzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(3-phenylpropylamino)benzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-(3-phenylpropylamino)benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)NCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-26(24,25)16-12-14(17(23)22-18(19)20)9-10-15(16)21-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,21H,5,8,11H2,1H3,(H4,19,20,22,23)