ethyl 4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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=NNC(=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

InChI

InChI=1S/C20H24N4O5S/c1-2-29-20(26)15-5-7-16(8-6-15)30(27,28)24-11-9-23(10-12-24)19(25)18-13-17(21-22-18)14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,22)