ethyl 4-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(1-methyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-methylpyrazole-4-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-3-27-18(24)14-4-6-16(7-5-14)28(25,26)22-10-8-21(9-11-22)17(23)15-12-19-20(2)13-15/h4-7,12-13H,3,8-11H2,1-2H3