ethyl 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-cyanoethyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N

InChI

InChI=1S/C16H21N3O4S/c1-2-23-16(20)14-4-6-15(7-5-14)24(21,22)19-12-10-18(11-13-19)9-3-8-17/h4-7H,2-3,9-13H2,1H3