N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-hex-5-enyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-hex-5-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-hydroxy-hex-5-enyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-hydroxyhex-5-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-hydroxyhex-5-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,3S)-1-(3,4-dimethoxyphenyl)-3-hydroxy-hex-5-enyl]-4-methyl-benzenesulfonamide Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(CC=C)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C[C@H](CC=C)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27NO5S/c1-5-6-17(23)14-19(16-9-12-20(26-3)21(13-16)27-4)22-28(24,25)18-10-7-15(2)8-11-18/h5,7-13,17,19,22-23H,1,6,14H2,2-4H3/t17-,19-/m0/s1