(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-nosyl-propionamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5S/c1-13(29(27,28)19-5-3-18(4-6-19)23(25)26)20(24)22-14(2)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,13-17H,7-12H2,1-2H3,(H,22,24)/t13-,14-,15?,16?,17?,21?/m1/s1