cyanomethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: cyanomethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: cyanomethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid cyanomethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC#N

InChI

InChI=1S/C20H21N3O4S/c21-9-14-27-20(24)18-7-4-8-19(15-18)28(25,26)23-12-10-22(11-13-23)16-17-5-2-1-3-6-17/h1-8,15H,10-14,16H2