N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC(=O)NC[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N3O5S2/c23-18(20-12-15-14-26-16-4-1-2-5-17(16)27-15)13-21-7-9-22(10-8-21)29(24,25)19-6-3-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,20,23)/t15-/m0/s1