methyl 2-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-propanoate

Systemtic Name: methyl 2-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-propanoate Openeye Name: methyl 2-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-propanoate CAS Name: 2-(phenylmethyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-(4-benzylpiperazin-1-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(4-benzylpiperazino)sulfonyl-propionic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-28-22(25)21(16-19-8-4-2-5-9-19)18-29(26,27)24-14-12-23(13-15-24)17-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3