methyl 3-[4-(phenylsulfonyl)piperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(phenylsulfonyl)piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(benzenesulfonyl)piperazin-1-yl]propanoate CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonyl)piperazin-1-yl]propanoate Traditional Name: 3-(4-besylpiperazino)propionic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)7-8-15-9-11-16(12-10-15)21(18,19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3