1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2,5-dimethylphenyl)methyl]piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2,5-dimethylphenyl)methyl]piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2,5-dimethylphenyl)methyl]piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2,5-dimethylphenyl)methyl]piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2,5-dimethylphenyl)methyl]piperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,5-dimethylbenzyl)piperazine Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O4S/c1-16-3-4-17(2)18(13-16)15-22-7-9-23(10-8-22)28(24,25)19-5-6-20-21(14-19)27-12-11-26-20/h3-6,13-14H,7-12,15H2,1-2H3