N-[(4-carbamimidoylphenyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-cyclohexyl-1-oxo-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C22H34N6O4S MolecularWeight: 478.60816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O4S/c23-20(24)17-10-8-16(9-11-17)14-26-21(29)19-7-4-12-28(19)22(30)18(27-33(25,31)32)13-15-5-2-1-3-6-15/h8-11,15,18-19,27H,1-7,12-14H2,(H3,23,24)(H,26,29)(H2,25,31,32)