4-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Traditional Name: 4-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]butyramide Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)CCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)CCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H25N3O4S/c1-32(29,30)22-9-3-2-8-21(22)17-11-13-19(14-12-17)27-23(28)10-5-15-31-20-7-4-6-18(16-20)24(25)26/h2-4,6-9,11-14,16H,5,10,15H2,1H3,(H3,25,26)(H,27,28)