4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]butan-1-one Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C23H27ClN2O6S/c1-17-15-18(4-6-20(17)24)30-12-2-3-23(27)25-8-10-26(11-9-25)33(28,29)19-5-7-21-22(16-19)32-14-13-31-21/h4-7,15-16H,2-3,8-14H2,1H3