methyl 4-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-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=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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