N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O5S/c1-29(25,26)23-10-8-22(9-11-23)17-5-3-16(4-6-17)21-20(24)15-2-7-18-19(14-15)28-13-12-27-18/h2-7,14H,8-13H2,1H3,(H,21,24)