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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-methylsulfonylbenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-mesyl-benzamide Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-19(22)17-3-5-18(6-4-17)25(2,23)24/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)