2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]acetate Formula: C15H17N2O6S- MolecularWeight: 353.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c18-14(19)10-17-12-6-5-11(9-13(12)23-15(17)20)24(21,22)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H,18,19)/p-1