N-[(4-carbamimidoylphenyl)methyl]-1-[2-(3-methylsulfonylphenyl)-2-oxidanyl-ethanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(3-methylsulfonylphenyl)-2-oxidanyl-ethanoyl]azetidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-hydroxy-2-(3-methylsulfonylphenyl)acetyl]azetidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-hydroxy-2-(3-methylsulfonylphenyl)-1-oxoethyl]-2-azetidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-hydroxy-2-(3-methylsulfonylphenyl)acetyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-hydroxy-2-(3-mesylphenyl)acetyl]azetidine-2-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C21H24N4O5S/c1-31(29,30)16-4-2-3-15(11-16)18(26)21(28)25-10-9-17(25)20(27)24-12-13-5-7-14(8-6-13)19(22)23/h2-8,11,17-18,26H,9-10,12H2,1H3,(H3,22,23)(H,24,27)