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

Systemtic Name: 3-(3-chlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3-chlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-chlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-chlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3-chlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]prop-2-en-1-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN2O5S/c22-17-3-1-2-16(14-17)4-7-21(25)23-8-10-24(11-9-23)30(26,27)18-5-6-19-20(15-18)29-13-12-28-19/h1-7,14-15H,8-13H2