N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CSC=C4

Isomeric SMILES

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CSC=C4

InChI

InChI=1S/C19H25N3O4S2/c1-21-5-7-22(8-6-21)17(15-4-11-27-14-15)13-20-28(23,24)16-2-3-18-19(12-16)26-10-9-25-18/h2-4,11-12,14,17,20H,5-10,13H2,1H3/t17-/m1/s1