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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-N-[2-(2-mesylphenyl)benzyl]valeramide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC=CC=C1C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCC(C(=O)NCC1=CC=CC=C1C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H29N3O4S/c1-3-9-23(33-20-12-8-11-18(16-20)25(27)28)26(30)29-17-19-10-4-5-13-21(19)22-14-6-7-15-24(22)34(2,31)32/h4-8,10-16,23H,3,9,17H2,1-2H3,(H3,27,28)(H,29,30)