3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazino]propionic acid Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C12H19N3O4S/c1-13-4-2-11(10-13)20(18,19)15-8-6-14(7-9-15)5-3-12(16)17/h2,4,10H,3,5-9H2,1H3,(H,16,17)