N-[(2S)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(3-methylsulfonylanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-2-(3-mesylanilino)-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O4S/c1-13(19(24)23-17-4-3-5-18(9-17)28(2,26)27)22-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,25)(H,23,24)/t13-,14?,15?,16?,21?/m0/s1