1-[2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-phenyl]pyrrolidin-2-one CAS Name: 1-[2-methyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-methylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-(4-benzylpiperazino)sulfonyl-2-methyl-phenyl]-2-pyrrolidone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)N4CCCC4=O

InChI

InChI=1S/C22H27N3O3S/c1-18-16-20(9-10-21(18)25-11-5-8-22(25)26)29(27,28)24-14-12-23(13-15-24)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3