3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrazol-1-yl]propionic acid Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

InChI

InChI=1S/C12H20N4O4S/c1-14-4-2-5-16(8-7-14)21(19,20)11-9-13-15(10-11)6-3-12(17)18/h9-10H,2-8H2,1H3,(H,17,18)