N-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-1-[2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-1-[2-(methanesulfonamido)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[2-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-1-[2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C22H34N6O4S MolecularWeight: 478.60816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCCN(C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCCN(C3)C(=N)N

InChI

InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(13-16-7-3-2-4-8-16)21(30)28-12-6-10-19(28)20(29)25-14-17-9-5-11-27(15-17)22(23)24/h2-4,7-8,17-19,26H,5-6,9-15H2,1H3,(H3,23,24)(H,25,29)