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

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2R)-2-(methylsulfonylamino)-3-phenyl-propanoyl]piperidine-2-carboxamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-1-[(2R)-2-(methanesulfonamido)-3-phenyl-propanoyl]piperidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[(2R)-2-(methanesulfonamido)-1-oxo-3-phenylpropyl]-2-piperidinecarboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2R)-2-(methanesulfonamido)-3-phenylpropanoyl]piperidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-[(2R)-2-(methanesulfonamido)-3-phenyl-propanoyl]pipecolinamide Formula: C23H36N6O4S MolecularWeight: 492.63474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCCC2C(=O)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

CS(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCCCC2C(=O)NCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C23H36N6O4S/c1-34(32,33)27-19(15-17-7-3-2-4-8-17)22(31)29-12-6-5-9-20(29)21(30)26-16-18-10-13-28(14-11-18)23(24)25/h2-4,7-8,18-20,27H,5-6,9-16H2,1H3,(H3,24,25)(H,26,30)/t19-,20?/m1/s1