N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-1-[2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[2-(methanesulfonamido)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[2-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-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)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)C(=N)N

InChI

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