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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)sulfonyl-piperidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)sulfonyl-piperidine CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-piperonyl-piperidine Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25NO4S/c1-15-3-4-16(2)21(11-15)27(23,24)22-9-7-17(8-10-22)12-18-5-6-19-20(13-18)26-14-25-19/h3-6,11,13,17H,7-10,12,14H2,1-2H3