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

Systemtic Name: N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[4-(4-methyl-1-piperazinyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[4-(4-methylpiperazino)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-23-10-12-24(13-11-23)18-4-2-17(3-5-18)8-9-22-29(25,26)19-6-7-20-21(16-19)28-15-14-27-20/h2-7,16,22H,8-15H2,1H3