3,3-dimethyl-4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperazin-2-one

Systemtic Name: 3,3-dimethyl-4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperazin-2-one Openeye Name: 3,3-dimethyl-4-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]piperazin-2-one CAS Name: 3,3-dimethyl-4-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-2-piperazinone IUPAC Name: 3,3-dimethyl-4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-2-one Traditional Name: 3,3-dimethyl-4-[(2S)-1-tosylprolyl]piperazin-2-one Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCNC(=O)C3(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCNC(=O)C3(C)C

InChI

InChI=1S/C18H25N3O4S/c1-13-6-8-14(9-7-13)26(24,25)21-11-4-5-15(21)16(22)20-12-10-19-17(23)18(20,2)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,23)/t15-/m0/s1