4-chloranyl-N-[(2S)-3-methyl-1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]propyl]benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-1-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]-2-methyl-propyl]benzamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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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)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN4O6S/c1-13(2)19(25-20(27)14-4-6-15(22)7-5-14)21(28)24-11-10-23-17-9-8-16(33(3,31)32)12-18(17)26(29)30/h4-9,12-13,19,23H,10-11H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1