2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-mesyl-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]propyl]isoindolin-1-one Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29N3O5S/c1-32-20-9-7-19(8-10-20)25-12-14-26(15-13-25)24(29)22(11-16-33(2,30)31)27-17-18-5-3-4-6-21(18)23(27)28/h3-10,22H,11-17H2,1-2H3