4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1S,2S)-1-(hydroxymethyl)-2-methyl-butyl]benzenesulfonamide CAS Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1S,2S)-2-methyl-1-methylol-butyl]-N-veratryl-benzenesulfonamide Formula: C21H28ClNO5S MolecularWeight: 441.96872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)N(CC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO5S/c1-5-15(2)19(14-24)23(29(25,26)18-9-7-17(22)8-10-18)13-16-6-11-20(27-3)21(12-16)28-4/h6-12,15,19,24H,5,13-14H2,1-4H3/t15-,19+/m0/s1