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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-methylsulfonylphenyl)phenyl]methyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(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=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

InChI

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