1-(4-methylsulfonylpiperazin-1-yl)-4-[4-(phenylmethyl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-[4-(phenylmethyl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzyl-1-piperidyl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-4-[4-(phenylmethyl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperidino)-4-(4-mesylpiperazino)butane-1,4-dione Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c1-29(27,28)24-15-13-23(14-16-24)21(26)8-7-20(25)22-11-9-19(10-12-22)17-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3