tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxy-butanoate

Systemtic Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxy-butanoate Openeye Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxy-butanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxy-butyric acid tert-butyl ester Formula: C21H23ClO7S MolecularWeight: 454.92112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(COS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H](COS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23ClO7S/c1-21(2,3)29-20(23)11-15(14-4-9-18-19(10-14)27-13-26-18)12-28-30(24,25)17-7-5-16(22)6-8-17/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1