4-chloranyl-N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylsulfonyl-propyl]carbamoyl]cyclohexyl]benzamide

Systemtic Name: 4-chloranyl-N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylsulfonyl-propyl]carbamoyl]cyclohexyl]benzamide Openeye Name: 4-chloro-N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylsulfonyl-propyl]carbamoyl]cyclohexyl]benzamide CAS Name: 4-chloro-N-[(1S,2R)-2-[[[(1S)-1-cyano-3-methylsulfonylpropyl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-chloro-N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylsulfonylpropyl]carbamoyl]cyclohexyl]benzamide Traditional Name: 4-chloro-N-[(1S,2R)-2-[[(1S)-1-cyano-3-mesyl-propyl]carbamoyl]cyclohexyl]benzamide Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H24ClN3O4S/c1-28(26,27)11-10-15(12-21)22-19(25)16-4-2-3-5-17(16)23-18(24)13-6-8-14(20)9-7-13/h6-9,15-17H,2-5,10-11H2,1H3,(H,22,25)(H,23,24)/t15-,16+,17-/m0/s1