1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenyl-piperazine hydrochloride

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenyl-piperazine hydrochloride Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenyl-piperazine hydrochloride CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine hydrochloride IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine hydrochloride Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenyl-piperazine hydrochloride Formula: C20H25ClN2O4S MolecularWeight: 424.9415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

InChI

InChI=1S/C20H24N2O4S.ClH/c1-21-10-11-22(18(15-21)16-6-3-2-4-7-16)27(23,24)17-8-9-19-20(14-17)26-13-5-12-25-19;/h2-4,6-9,14,18H,5,10-13,15H2,1H3;1H