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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O4S/c25-29(26,19-7-8-20-21(17-19)28-16-15-27-20)22-9-4-10-23-11-13-24(14-12-23)18-5-2-1-3-6-18/h1-3,5-8,17,22H,4,9-16H2