N-[(4-carbamimidoylphenyl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]propanoyl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]propanoyl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: 1-[2-(benzylsulfonylamino)propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: 1-[2-(benzylsulfonylamino)propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(benzylsulfonylamino)propanoyl]-3-pyrroline-2-carboxamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

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