methyl 4-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-benzylpiperazino)sulfonylbenzoic 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)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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