4-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H23ClN4O4S MolecularWeight: 486.97112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23ClN4O4S/c24-21-4-2-1-3-18(21)15-27-16-19(13-22(27)29)23(30)26-9-11-28(12-10-26)33(31,32)20-7-5-17(14-25)6-8-20/h1-8,19H,9-13,15-16H2/t19-/m0/s1