3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O5S/c1-16-4-5-17(2)21(14-16)30(26,27)24-10-8-23(9-11-24)22(25)18-6-7-19-20(15-18)29-13-3-12-28-19/h4-7,14-15H,3,8-13H2,1-2H3