N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dimethyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3,3-dimethyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(methanesulfonamido)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Formula: C20H31N5O4S MolecularWeight: 437.55624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O4S/c1-20(2,3)16(24-30(4,28)29)19(27)25-11-5-6-15(25)18(26)23-12-13-7-9-14(10-8-13)17(21)22/h7-10,15-16,24H,5-6,11-12H2,1-4H3,(H3,21,22)(H,23,26)