N-[(4-carbamimidoylphenyl)methyl]-1-[2-cyclohexyl-2-(sulfamoylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-cyclohexyl-2-(sulfamoylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-cyclohexyl-2-(sulfamoylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-cyclohexyl-1-oxo-2-(sulfamoylamino)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-cyclohexyl-2-(sulfamoylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-cyclohexyl-2-(sulfamoylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H32N6O4S MolecularWeight: 464.58158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)N

InChI

InChI=1S/C21H32N6O4S/c22-19(23)16-10-8-14(9-11-16)13-25-20(28)17-7-4-12-27(17)21(29)18(26-32(24,30)31)15-5-2-1-3-6-15/h8-11,15,17-18,26H,1-7,12-13H2,(H3,22,23)(H,25,28)(H2,24,30,31)