ethyl 4-[4-cyano-2-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-cyano-2-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-cyano-2-(p-tolylsulfonyl)-1H-pyrrol-3-yl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-2-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-cyano-2-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]piperazine-1-carboxylate Traditional Name: 4-(4-cyano-2-tosyl-1H-pyrrol-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(NC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(NC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H22N4O4S/c1-3-27-19(24)23-10-8-22(9-11-23)17-15(12-20)13-21-18(17)28(25,26)16-6-4-14(2)5-7-16/h4-7,13,21H,3,8-11H2,1-2H3