N-[(2R)-3-methyl-1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1R)-2-methyl-1-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]propyl]cyclohexanecarboxamide CAS Name: N-[(2R)-3-methyl-1-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-1-oxobutan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-1-oxobutan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1R)-1-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]-2-methyl-propyl]cyclohexanecarboxamide Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C2CCCCC2

InChI

InChI=1S/C21H32N4O6S/c1-14(2)19(24-20(26)15-7-5-4-6-8-15)21(27)23-12-11-22-17-10-9-16(32(3,30)31)13-18(17)25(28)29/h9-10,13-15,19,22H,4-8,11-12H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1