methyl 4-[[4-(phenylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(phenylmethyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[(4-benzylpiperazin-1-yl)sulfonylmethyl]benzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzylpiperazin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(4-benzylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S/c1-26-20(23)19-9-7-18(8-10-19)16-27(24,25)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3