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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methylsulfonylamino)heptanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)heptanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-1-oxoheptyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)heptanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(methanesulfonamido)heptanoyl]pyrrolidine-2-carboxamide Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O4S/c1-3-4-5-7-17(25-31(2,29)30)21(28)26-13-6-8-18(26)20(27)24-14-15-9-11-16(12-10-15)19(22)23/h9-12,17-18,25H,3-8,13-14H2,1-2H3,(H3,22,23)(H,24,27)