N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-methanoyl-cyclohexyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-methanoyl-cyclohexyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-formyl-cyclohexyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-formylcyclohexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-formylcyclohexyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-formyl-cyclohexyl]-4-methyl-benzenesulfonamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2(C=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@]2(C=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO5S/c1-15-5-8-17(9-6-15)28(24,25)22-20-4-2-3-11-21(20,13-23)16-7-10-18-19(12-16)27-14-26-18/h5-10,12-13,20,22H,2-4,11,14H2,1H3/t20-,21-/m0/s1