N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methylsulfonyl-2-nitro-anilino)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-mesyl-2-nitro-anilino)acetamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CNC4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CNC4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5S/c1-13(21-9-14-5-15(10-21)7-16(6-14)11-21)23-20(25)12-22-18-4-3-17(30(2,28)29)8-19(18)24(26)27/h3-4,8,13-16,22H,5-7,9-12H2,1-2H3,(H,23,25)/t13-,14?,15?,16?,21?/m1/s1