[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

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