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

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-(3-amidinobenzyl)-N-[4-(2-mesylphenyl)phenyl]valeramide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCC(CC1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C26H29N3O3S/c1-3-7-21(17-18-8-6-9-20(16-18)25(27)28)26(30)29-22-14-12-19(13-15-22)23-10-4-5-11-24(23)33(2,31)32/h4-6,8-16,21H,3,7,17H2,1-2H3,(H3,27,28)(H,29,30)