[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)benzoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)benzoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C27H31N3O7S2 MolecularWeight: 573.68094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N3O7S2/c1-3-29(4-2)38(33,34)24-11-7-10-23(19-24)27(32)37-20-26(31)28-14-16-30(17-15-28)39(35,36)25-13-12-21-8-5-6-9-22(21)18-25/h5-13,18-19H,3-4,14-17,20H2,1-2H3