N-(1-adamantyl)-N-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(1-adamantyl)-N-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-(1-adamantyl)-N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(p-tolylsulfonyl)piperidine-2-carboxamide CAS Name: N-(1-adamantyl)-N-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonylpiperidine-2-carboxamide Traditional Name: N-(1-adamantyl)-N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-tosyl-pipecolinamide Formula: C29H39N5O4S MolecularWeight: 553.71606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2)C(=O)N(C(=O)C(CC3=CN=CN3)N)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2)C(=O)N(C(=O)C(CC3=CN=CN3)N)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H39N5O4S/c1-19-4-6-24(7-5-19)39(37,38)29(8-2-3-9-33-29)27(36)34(26(35)25(30)13-23-17-31-18-32-23)28-14-20-10-21(15-28)12-22(11-20)16-28/h4-7,17-18,20-22,25,33H,2-3,8-16,30H2,1H3,(H,31,32)