4-(4-methylsulfonylphenyl)carbonyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one

Systemtic Name: 4-(4-methylsulfonylphenyl)carbonyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one Openeye Name: 4-(4-methylsulfonylbenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one CAS Name: 4-[(4-methylsulfonylphenyl)-oxomethyl]-1-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-2-piperazinone IUPAC Name: 4-(4-methylsulfonylbenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one Traditional Name: 4-(4-mesylbenzoyl)-1-[4-(3-pyrrolidinopropoxy)phenyl]piperazin-2-one Formula: C25H31N3O5S MolecularWeight: 485.59574

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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)OCCCN4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCC4

InChI

InChI=1S/C25H31N3O5S/c1-34(31,32)23-11-5-20(6-12-23)25(30)27-16-17-28(24(29)19-27)21-7-9-22(10-8-21)33-18-4-15-26-13-2-3-14-26/h5-12H,2-4,13-19H2,1H3