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

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CN=CC=C5

InChI

InChI=1S/C26H30N4O4S/c31-35(32,23-8-9-25-26(17-23)34-16-15-33-25)28-19-24(22-7-4-10-27-18-22)30-13-11-29(12-14-30)20-21-5-2-1-3-6-21/h1-10,17-18,24,28H,11-16,19-20H2