1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylphenyl)carbonyl-piperazin-2-one; methanoic acid

Systemtic Name: 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylphenyl)carbonyl-piperazin-2-one; methanoic acid Openeye Name: 1-[4-[(1-cyclopentyl-4-piperidyl)oxy]phenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one; formic acid CAS Name: 1-[4-[(1-cyclopentyl-4-piperidinyl)oxy]phenyl]-4-[(3-methylsulfonylphenyl)-oxomethyl]-2-piperazinone; formic acid IUPAC Name: 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one; formic acid Traditional Name: 1-[4-[(1-cyclopentyl-4-piperidyl)oxy]phenyl]-4-(3-mesylbenzoyl)piperazin-2-one; formic acid Formula: C29H37N3O7S MolecularWeight: 571.68498

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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)C5CCCC5.C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OC4CCN(CC4)C5CCCC5.C(=O)O

InChI

InChI=1S/C28H35N3O5S.CH2O2/c1-37(34,35)26-8-4-5-21(19-26)28(33)30-17-18-31(27(32)20-30)23-9-11-24(12-10-23)36-25-13-15-29(16-14-25)22-6-2-3-7-22;2-1-3/h4-5,8-12,19,22,25H,2-3,6-7,13-18,20H2,1H3;1H,(H,2,3)