N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-mesyl-2-methyl-benzamide Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29NO3S/c1-13-4-5-18(26(3,24)25)9-19(13)20(23)22-14(2)21-10-15-6-16(11-21)8-17(7-15)12-21/h4-5,9,14-17H,6-8,10-12H2,1-3H3,(H,22,23)/t14-,15?,16?,17?,21?/m1/s1