1-[(2R)-4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone

Systemtic Name: 1-[(2R)-4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone Openeye Name: 1-[(2R)-4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone CAS Name: 1-[(2R)-4-methylsulfonyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-(3-nitrophenyl)ethanone IUPAC Name: 1-[(2R)-4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone Traditional Name: 1-[(2R)-4-mesyl-2-(pyrrolidinomethyl)piperazino]-2-(3-nitrophenyl)ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-28(26,27)20-9-10-21(17(14-20)13-19-7-2-3-8-19)18(23)12-15-5-4-6-16(11-15)22(24)25/h4-6,11,17H,2-3,7-10,12-14H2,1H3/t17-/m1/s1