1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylsulfonylphenyl)carbonyl-piperazin-2-one

Systemtic Name: 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylsulfonylphenyl)carbonyl-piperazin-2-one Openeye Name: 1-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one CAS Name: 1-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-piperazinone IUPAC Name: 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one Traditional Name: 1-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-4-(4-mesylbenzoyl)piperazin-2-one Formula: C27H33N3O5S MolecularWeight: 511.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5

InChI

InChI=1S/C27H33N3O5S/c1-36(33,34)25-11-5-20(6-12-25)27(32)29-17-18-30(26(31)19-29)22-7-9-23(10-8-22)35-24-13-15-28(16-14-24)21-3-2-4-21/h5-12,21,24H,2-4,13-19H2,1H3