1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-isopropyl-2-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(5-isopropyl-2-methoxy-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16(2)18-5-7-20(27-3)22(13-18)30(25,26)24-10-8-23(9-11-24)14-17-4-6-19-21(12-17)29-15-28-19/h4-7,12-13,16H,8-11,14-15H2,1-3H3