2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]sulfonyl-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-yl]sulfonyl-4-chloranyl-benzenecarbonitrile Openeye Name: 4-chloro-2-[[4-[(1,3-dioxoisoindolin-2-yl)methyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-chloro-2-[[4-[(1,3-dioxo-2-isoindolyl)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-chloro-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-chloro-2-[4-(phthalimidomethyl)piperidino]sulfonyl-benzonitrile Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C21H18ClN3O4S/c22-16-6-5-15(12-23)19(11-16)30(28,29)24-9-7-14(8-10-24)13-25-20(26)17-3-1-2-4-18(17)21(25)27/h1-6,11,14H,7-10,13H2