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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H25N3O4S/c1-3-21(31-19-8-6-7-17(15-19)23(25)26)24(28)27-18-13-11-16(12-14-18)20-9-4-5-10-22(20)32(2,29)30/h4-15,21H,3H2,1-2H3,(H3,25,26)(H,27,28)