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

Systemtic Name: 2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-(3-amidinophenyl)-N-[4-(2-mesylphenyl)phenyl]valeramide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCC(C1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H27N3O3S/c1-3-7-22(18-8-6-9-19(16-18)24(26)27)25(29)28-20-14-12-17(13-15-20)21-10-4-5-11-23(21)32(2,30)31/h4-6,8-16,22H,3,7H2,1-2H3,(H3,26,27)(H,28,29)