2-[4-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(2-cyanophenyl)benzyl]sulfonylpiperazino]acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H28N4O3S/c28-18-25-8-4-5-9-26(25)24-12-10-23(11-13-24)21-35(33,34)31-16-14-30(15-17-31)20-27(32)29-19-22-6-2-1-3-7-22/h1-13H,14-17,19-21H2,(H,29,32)