N-[(2R)-1-(1-adamantylmethylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2R)-1-(1-adamantylmethylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: N-[(2R)-1-(1-adamantylmethylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2R)-1-(1-adamantylmethylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-3-mesyl-propyl]-3-methyl-benzamide Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N2O4S/c1-16-4-3-5-20(8-16)22(27)26-21(6-7-31(2,29)30)23(28)25-15-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-5,8,17-19,21H,6-7,9-15H2,1-2H3,(H,25,28)(H,26,27)/t17?,18?,19?,21-,24?/m1/s1