2-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-methylidene-isoindol-1-one

Systemtic Name: 2-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-methylidene-isoindol-1-one Openeye Name: 2-[(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-methyl-2-oxo-ethyl]-3-methylene-isoindolin-1-one CAS Name: 2-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxopropan-2-yl]-3-methylene-1-isoindolone IUPAC Name: 2-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-methylideneisoindol-1-one Traditional Name: 2-[(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-1-methyl-ethyl]-3-methylene-isoindolin-1-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)N3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)N3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O4S/c1-16-9-10-17(2)22(15-16)32(30,31)26-13-11-25(12-14-26)23(28)19(4)27-18(3)20-7-5-6-8-21(20)24(27)29/h5-10,15,19H,3,11-14H2,1-2,4H3/t19-/m0/s1