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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O5S/c1-23(31(27,28)19-7-8-20-21(15-19)30-14-13-29-20)17-22(26)25-11-9-24(10-12-25)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3