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methyl 4-[[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]methyl]benzoate

methyl 4-[[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name:methyl 4-[[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]methyl]benzoate
Openeye Name:methyl 4-[[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]methyl]benzoate
CAS Name:4-[[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]amino]methyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]methyl]benzoate
Traditional Name:4-[[[2-(4-benzylsulfonylpiperazino)acetyl]amino]methyl]benzoic acid methyl ester
Formula: C22H27N3O5S
MolecularWeight: 445.53188
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3


InChI

InChI=1S/C22H27N3O5S/c1-30-22(27)20-9-7-18(8-10-20)15-23-21(26)16-24-11-13-25(14-12-24)31(28,29)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)


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