N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenylsulfonylamino)propanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenylsulfonylamino)propanoyl]azetidine-2-carboxamide Openeye Name: 1-[2-(benzenesulfonamido)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide CAS Name: 1-[2-(benzenesulfonamido)-3-hydroxy-1-oxopropyl]-N-[(4-carbamimidoylphenyl)methyl]-2-azetidinecarboxamide IUPAC Name: 1-[2-(benzenesulfonamido)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(benzenesulfonamido)-3-hydroxy-propanoyl]azetidine-2-carboxamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O5S/c22-19(23)15-8-6-14(7-9-15)12-24-20(28)18-10-11-26(18)21(29)17(13-27)25-32(30,31)16-4-2-1-3-5-16/h1-9,17-18,25,27H,10-13H2,(H3,22,23)(H,24,28)