[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C30H26N4O5S2 MolecularWeight: 586.68124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H26N4O5S2/c35-29(32-14-16-33(17-15-32)41(37,38)25-13-12-22-7-4-5-8-23(22)19-25)21-39-30(36)27-20-26(28-11-6-18-40-28)31-34(27)24-9-2-1-3-10-24/h1-13,18-20H,14-17,21H2