methyl 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzoate CAS Name: 4-[(4-phenyl-1-piperazinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylpiperazin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(4-phenylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-25-19(22)17-9-7-16(8-10-17)15-26(23,24)21-13-11-20(12-14-21)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3