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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCC=C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)NCC=C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN3O6S/c1-3-7-17-15(21)12(6-8-26(2,24)25)18-14(20)10-4-5-11(16)13(9-10)19(22)23/h3-5,9,12H,1,6-8H2,2H3,(H,17,21)(H,18,20)/t12-/m1/s1