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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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@H](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/c1-3-7-22(32-20-9-6-8-18(16-20)24(26)27)25(29)28-19-14-12-17(13-15-19)21-10-4-5-11-23(21)33(2,30)31/h4-6,8-16,22H,3,7H2,1-2H3,(H3,26,27)(H,28,29)/t22-/m1/s1