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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-N-[2-(2-mesylphenyl)benzyl]-4-methyl-valeramide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-18(2)15-24(34-21-11-8-10-19(16-21)26(28)29)27(31)30-17-20-9-4-5-12-22(20)23-13-6-7-14-25(23)35(3,32)33/h4-14,16,18,24H,15,17H2,1-3H3,(H3,28,29)(H,30,31)