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

Systemtic Name: N-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H25N3O5S MolecularWeight: 479.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H25N3O5S/c29-25(28-14-12-27(13-15-28)21-4-2-1-3-5-21)19-6-8-20(9-7-19)26-34(30,31)22-10-11-23-24(18-22)33-17-16-32-23/h1-11,18,26H,12-17H2