N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-6-oxidanylidene-1-[(phenylmethyl)sulfonylamino]-2,3-dihydropyridin-5-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-6-oxidanylidene-1-[(phenylmethyl)sulfonylamino]-2,3-dihydropyridin-5-yl]ethanamide Openeye Name: 2-[1-(benzylsulfonylamino)-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-methyl-6-oxo-1-[(phenylmethyl)sulfonylamino]-2,3-dihydropyridin-5-yl]acetamide IUPAC Name: 2-[1-(benzylsulfonylamino)-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[1-(benzylsulfonylamino)-6-keto-4-methyl-2,3-dihydropyridin-5-yl]acetamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(CC1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C(=O)N(CC1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N5O4S/c1-16-11-12-28(27-33(31,32)15-18-5-3-2-4-6-18)23(30)20(16)13-21(29)26-14-17-7-9-19(10-8-17)22(24)25/h2-10,27H,11-15H2,1H3,(H3,24,25)(H,26,29)