ethyl 4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-isonicotinoylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O5S/c1-2-27-19(24)16-3-5-17(6-4-16)28(25,26)22-13-11-21(12-14-22)18(23)15-7-9-20-10-8-15/h3-10H,2,11-14H2,1H3