methyl 3-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 3-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(1-naphthoyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O5S/c1-30-23(27)18-8-4-9-19(16-18)31(28,29)25-14-12-24(13-15-25)22(26)21-11-5-7-17-6-2-3-10-20(17)21/h2-11,16H,12-15H2,1H3