methyl 4-[4-[cyano(phenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[cyano(phenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[cyano(phenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[cyano(phenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[cyano(phenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[cyano(phenyl)methyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)17-7-9-18(10-8-17)28(25,26)23-13-11-22(12-14-23)19(15-21)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3