(5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]adamantane-1-carboxamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H37N3O4S/c1-18-7-8-22(12-23(18)34(32,33)29-9-5-3-4-6-10-29)27-24(31)25-13-20-11-21(14-25)16-26(15-20,17-25)28-19(2)30/h7-8,12,20-21H,3-6,9-11,13-17H2,1-2H3,(H,27,31)(H,28,30)/t20-,21+,25?,26?