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

Systemtic Name: N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H26N4O5S MolecularWeight: 494.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H26N4O5S/c30-25(29-13-11-28(12-14-29)18-19-7-9-26-10-8-19)20-1-3-21(4-2-20)27-35(31,32)22-5-6-23-24(17-22)34-16-15-33-23/h1-10,17,27H,11-16,18H2