N-(1-adamantylmethyl)-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-(1-adamantylmethyl)-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-(1-adamantylmethyl)-5-mesyl-2-methyl-benzamide Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

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