methyl 2-[2-(4-phenylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate

Systemtic Name: methyl 2-[2-(4-phenylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate Openeye Name: methyl 2-[2-(4-phenylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate CAS Name: 2-[oxo-[2-[(4-phenyl-1-piperazinyl)sulfonyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-phenylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate Traditional Name: 2-[2-(4-phenylpiperazino)sulfonylethylcarbamoyl]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-29-21(26)19-10-6-5-9-18(19)20(25)22-11-16-30(27,28)24-14-12-23(13-15-24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,22,25)