N-[1-(1-adamantyl)propyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[1-(1-adamantyl)propyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-tosyl-propionamide Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H33NO3S/c1-3-21(23-13-17-10-18(14-23)12-19(11-17)15-23)24-22(25)8-9-28(26,27)20-6-4-16(2)5-7-20/h4-7,17-19,21H,3,8-15H2,1-2H3,(H,24,25)