N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(benzylsulfonylamino)acetyl]-N-[(1-carbamimidoyl-4-piperidyl)methyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[1-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(benzylsulfonylamino)acetyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-[2-(benzylsulfonylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H32N6O4S MolecularWeight: 464.58158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C21H32N6O4S/c22-21(23)26-11-8-16(9-12-26)13-24-20(29)18-7-4-10-27(18)19(28)14-25-32(30,31)15-17-5-2-1-3-6-17/h1-3,5-6,16,18,25H,4,7-15H2,(H3,22,23)(H,24,29)