methanoic acid; 4-(3-methylsulfonylphenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one

Systemtic Name: methanoic acid; 4-(3-methylsulfonylphenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one Openeye Name: formic acid; 4-(3-methylsulfonylbenzoyl)-1-[4-[3-(1-piperidyl)propoxy]phenyl]piperazin-2-one CAS Name: formic acid; 4-[(3-methylsulfonylphenyl)-oxomethyl]-1-[4-[3-(1-piperidinyl)propoxy]phenyl]-2-piperazinone IUPAC Name: formic acid; 4-(3-methylsulfonylbenzoyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one Traditional Name: formic acid; 4-(3-mesylbenzoyl)-1-[4-(3-piperidinopropoxy)phenyl]piperazin-2-one Formula: C27H35N3O7S MolecularWeight: 545.6477

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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)OCCCN4CCCCC4.C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCCC4.C(=O)O

InChI

InChI=1S/C26H33N3O5S.CH2O2/c1-35(32,33)24-8-5-7-21(19-24)26(31)28-16-17-29(25(30)20-28)22-9-11-23(12-10-22)34-18-6-15-27-13-3-2-4-14-27;2-1-3/h5,7-12,19H,2-4,6,13-18,20H2,1H3;1H,(H,2,3)