3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(1-azepanylsulfonyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(azepan-1-ylsulfonyl)piperazino]propionic acid Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H25N3O4S/c17-13(18)5-8-14-9-11-16(12-10-14)21(19,20)15-6-3-1-2-4-7-15/h1-12H2,(H,17,18)