methyl 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanoate CAS Name: 3-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanoate Traditional Name: 3-[4-(3-bromophenyl)sulfonylpiperazino]propionic acid methyl ester Formula: C14H19BrN2O4S MolecularWeight: 391.28066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O4S/c1-21-14(18)5-6-16-7-9-17(10-8-16)22(19,20)13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3