N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxidanylidene-4-phenethyl-pyridin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxidanylidene-4-phenethyl-pyridin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-phenethyl-1-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-phenethyl-1-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-phenethylpyridin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-[(4-fluorobenzyl)sulfonylamino]-2-keto-6-methyl-4-phenethyl-1-pyridyl]acetamide Formula: C31H32FN5O4S MolecularWeight: 589.680283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C31H32FN5O4S/c1-21-17-26(14-7-22-5-3-2-4-6-22)29(36-42(40,41)20-24-10-15-27(32)16-11-24)31(39)37(21)19-28(38)35-18-23-8-12-25(13-9-23)30(33)34/h2-6,8-13,15-17,36H,7,14,18-20H2,1H3,(H3,33,34)(H,35,38)