N-[(4-carbamimidoylphenyl)methyl]-1-[4-methylsulfanyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[4-methylsulfanyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(methanesulfonamido)-4-(methylthio)butanoyl]pyrrolidine-2-carboxamide Formula: C19H29N5O4S2 MolecularWeight: 455.59466

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C

InChI

InChI=1S/C19H29N5O4S2/c1-29-11-9-15(23-30(2,27)28)19(26)24-10-3-4-16(24)18(25)22-12-13-5-7-14(8-6-13)17(20)21/h5-8,15-16,23H,3-4,9-12H2,1-2H3,(H3,20,21)(H,22,25)