2-[4-(3-azanylpropanoyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(3-azanylpropanoyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(3-aminopropanoyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(3-amino-1-oxopropyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(3-aminopropanoyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(3-aminopropanoyl)piperazino]ethanesulfonic acid Formula: C9H19N3O4S MolecularWeight: 265.32986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C(=O)CCN

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C(=O)CCN

InChI

InChI=1S/C9H19N3O4S/c10-2-1-9(13)12-5-3-11(4-6-12)7-8-17(14,15)16/h1-8,10H2,(H,14,15,16)