N-[(5S,7R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-(4-p-cumenylsulfonylpiperazine-1-carbonyl)-1-adamantyl]acetamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H37N3O4S/c1-18(2)22-4-6-23(7-5-22)34(32,33)29-10-8-28(9-11-29)24(31)25-13-20-12-21(14-25)16-26(15-20,17-25)27-19(3)30/h4-7,18,20-21H,8-17H2,1-3H3,(H,27,30)/t20-,21+,25?,26?