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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

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