4-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-chlorophenyl)thio]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]butan-1-one Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25ClN2O5S2/c23-17-3-5-18(6-4-17)31-15-1-2-22(26)24-9-11-25(12-10-24)32(27,28)19-7-8-20-21(16-19)30-14-13-29-20/h3-8,16H,1-2,9-15H2