N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxopyridin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-keto-3-[(3-methoxyphenyl)sulfonylamino]-1-pyridyl]acetamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)