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

Systemtic Name: N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N4O5S/c26-21(25-11-9-24(10-12-25)16-17-3-6-22-7-4-17)5-8-23-31(27,28)18-1-2-19-20(15-18)30-14-13-29-19/h1-4,6-7,15,23H,5,8-14,16H2