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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-isopropyl-2-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(5-isopropyl-2-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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