(2R)-2-(azepan-1-ylsulfonylazaniumyl)-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(azepan-1-ylsulfonylazaniumyl)-2-phenyl-ethanoate Openeye Name: (2R)-2-(azepan-1-ylsulfonylammonio)-2-phenyl-acetate CAS Name: (2R)-2-(1-azepanylsulfonylammonio)-2-phenylacetate IUPAC Name: (2R)-2-(azepan-1-ylsulfonylazaniumyl)-2-phenylacetate Traditional Name: (2R)-2-(azepan-1-ylsulfonylammonio)-2-phenyl-acetate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH2+]C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH2+][C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c17-14(18)13(12-8-4-3-5-9-12)15-21(19,20)16-10-6-1-2-7-11-16/h3-5,8-9,13,15H,1-2,6-7,10-11H2,(H,17,18)/t13-/m1/s1