1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butan-2-ylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butan-2-ylphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-piperonyl-4-(4-sec-butylphenyl)sulfonyl-piperazine Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O4S/c1-3-17(2)19-5-7-20(8-6-19)29(25,26)24-12-10-23(11-13-24)15-18-4-9-21-22(14-18)28-16-27-21/h4-9,14,17H,3,10-13,15-16H2,1-2H3