[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-1-methylsulfonyl-3-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(3S)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: [(3S)-1-mesyl-3-piperidyl]-(4-piperonylpiperazino)methanone Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H27N3O5S/c1-28(24,25)22-6-2-3-16(13-22)19(23)21-9-7-20(8-10-21)12-15-4-5-17-18(11-15)27-14-26-17/h4-5,11,16H,2-3,6-10,12-14H2,1H3/t16-/m0/s1