4-chloranyl-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1R)-1-(cyclopropylcarbamoyl)-3-methylsulfonyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1R)-1-(cyclopropylcarbamoyl)-3-mesyl-propyl]-3-nitro-benzamide Formula: C15H18ClN3O6S MolecularWeight: 403.83792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN3O6S/c1-26(24,25)7-6-12(15(21)17-10-3-4-10)18-14(20)9-2-5-11(16)13(8-9)19(22)23/h2,5,8,10,12H,3-4,6-7H2,1H3,(H,17,21)(H,18,20)/t12-/m1/s1