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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide CAS Name: 2-(3-carbamimidoylphenoxy)-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]-3-methyl-butyramide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-16(2)23(32-20-8-6-7-18(15-20)24(26)27)25(29)28-19-13-11-17(12-14-19)21-9-4-5-10-22(21)33(3,30)31/h4-16,23H,1-3H3,(H3,26,27)(H,28,29)