3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(m-tolyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(3-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(m-tolyl)piperazino]propan-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O5S/c1-17-3-2-4-18(15-17)23-8-10-24(11-9-23)22(25)7-14-30(26,27)19-5-6-20-21(16-19)29-13-12-28-20/h2-6,15-16H,7-14H2,1H3