2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]acetic acid Formula: C12H23N3O4S MolecularWeight: 305.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O4S/c16-12(17)11-13-7-9-15(10-8-13)20(18,19)14-5-3-1-2-4-6-14/h1-11H2,(H,16,17)