N-[1-(1-adamantyl)propyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[1-(1-adamantyl)propyl]-4-methylsulfonyl-benzamide CAS Name: N-[1-(1-adamantyl)propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[1-(1-adamantyl)propyl]-4-methylsulfonylbenzamide Traditional Name: N-[1-(1-adamantyl)propyl]-4-mesyl-benzamide Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-3-19(21-11-14-8-15(12-21)10-16(9-14)13-21)22-20(23)17-4-6-18(7-5-17)26(2,24)25/h4-7,14-16,19H,3,8-13H2,1-2H3,(H,22,23)