1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylphenyl)carbonyl-piperazin-2-one

Systemtic Name: 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylphenyl)carbonyl-piperazin-2-one Openeye Name: 1-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one CAS Name: 1-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-4-[(3-methylsulfonylphenyl)-oxomethyl]-2-piperazinone IUPAC Name: 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one Traditional Name: 1-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-4-(3-mesylbenzoyl)piperazin-2-one Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5S/c1-36(33,34)25-7-2-4-20(18-25)27(32)29-16-17-30(26(31)19-29)22-8-10-23(11-9-22)35-24-12-14-28(15-13-24)21-5-3-6-21/h2,4,7-11,18,21,24H,3,5-6,12-17,19H2,1H3