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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[[4-(diethylsulfamoyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[[4-(diethylsulfamoyl)phenyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[4-(diethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[4-(diethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[[4-(diethylsulfamoyl)phenyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C22H27ClN4O6S MolecularWeight: 510.99098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O6S/c1-5-26(6-2)34(32,33)17-10-8-16(9-11-17)24-22(29)20(14(3)4)25-21(28)15-7-12-18(23)19(13-15)27(30)31/h7-14,20H,5-6H2,1-4H3,(H,24,29)(H,25,28)/t20-/m0/s1