(1-methylcyclopropyl) 4-[[5-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl) 4-[[5-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-(4-methylsulfonyl-2-oxo-piperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonyl-2-oxo-1-piperazinyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-(4-methylsulfonyl-2-oxopiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(2-keto-4-mesyl-piperazino)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C20H29N5O6S MolecularWeight: 467.53916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)OC(=O)N2CCC(CC2)COC3=NC=C(N=C3)N4CCN(CC4=O)S(=O)(=O)C

Isomeric SMILES

CC1(CC1)OC(=O)N2CCC(CC2)COC3=NC=C(N=C3)N4CCN(CC4=O)S(=O)(=O)C

InChI

InChI=1S/C20H29N5O6S/c1-20(5-6-20)31-19(27)23-7-3-15(4-8-23)14-30-17-12-21-16(11-22-17)25-10-9-24(13-18(25)26)32(2,28)29/h11-12,15H,3-10,13-14H2,1-2H3