N-[(5-carbamimidoylthiophen-3-yl)methyl]-1-[2-cyclohexyl-2-(methylsulfonylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(5-carbamimidoylthiophen-3-yl)methyl]-1-[2-cyclohexyl-2-(methylsulfonylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(5-carbamimidoyl-3-thienyl)methyl]-1-[2-cyclohexyl-2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(5-carbamimidoyl-3-thiophenyl)methyl]-1-[2-cyclohexyl-2-(methanesulfonamido)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(5-carbamimidoylthiophen-3-yl)methyl]-1-[2-cyclohexyl-2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[(5-amidino-3-thienyl)methyl]-1-[2-cyclohexyl-2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide Formula: C20H31N5O4S2 MolecularWeight: 469.62124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CSC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CSC(=C3)C(=N)N

InChI

InChI=1S/C20H31N5O4S2/c1-31(28,29)24-17(14-6-3-2-4-7-14)20(27)25-9-5-8-15(25)19(26)23-11-13-10-16(18(21)22)30-12-13/h10,12,14-15,17,24H,2-9,11H2,1H3,(H3,21,22)(H,23,26)