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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(benzenesulfonamido)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-(benzenesulfonamido)-3-hydroxy-1-oxopropyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(benzenesulfonamido)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(benzenesulfonamido)-3-hydroxy-propanoyl]pyrrolidine-2-carboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N5O5S/c23-20(24)16-10-8-15(9-11-16)13-25-21(29)19-7-4-12-27(19)22(30)18(14-28)26-33(31,32)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19,26,28H,4,7,12-14H2,(H3,23,24)(H,25,29)