4-(1,3-benzodioxol-5-ylmethyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidine CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-piperonyl-piperidine Formula: C24H31NO4S MolecularWeight: 429.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C24H31NO4S/c1-15-16(2)18(4)24(19(5)17(15)3)30(26,27)25-10-8-20(9-11-25)12-21-6-7-22-23(13-21)29-14-28-22/h6-7,13,20H,8-12,14H2,1-5H3