4-[[4-[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(2R)-1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2R)-1-besylprolyl]piperazino]methyl]benzonitrile Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H26N4O3S/c24-17-19-8-10-20(11-9-19)18-25-13-15-26(16-14-25)23(28)22-7-4-12-27(22)31(29,30)21-5-2-1-3-6-21/h1-3,5-6,8-11,22H,4,7,12-16,18H2/t22-/m1/s1