ethyl 4-[4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[(1-phenyl-4-pyrazolyl)methylamino]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H27N5O5S MolecularWeight: 497.56668

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)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O5S/c1-2-34-23(30)20-8-10-22(11-9-20)35(32,33)28-14-12-27(13-15-28)24(31)25-16-19-17-26-29(18-19)21-6-4-3-5-7-21/h3-11,17-18H,2,12-16H2,1H3,(H,25,31)