N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[4-(4-methyl-1-piperazinyl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[4-(4-methylpiperazino)phenyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H29N3O4S/c1-24-11-13-25(14-12-24)19-6-4-18(5-7-19)3-2-10-23-30(26,27)20-8-9-21-22(17-20)29-16-15-28-21/h4-9,17,23H,2-3,10-16H2,1H3