6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carboxylate CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-1H-quinoline-4-carboxylate IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carboxylate Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-1H-quinoline-4-carboxylate Formula: C16H17N2O5S- MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c19-15-10-13(16(20)21)12-9-11(5-6-14(12)17-15)24(22,23)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2,(H,17,19)(H,20,21)/p-1