4-methyl-3-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid Openeye Name: 4-methyl-3-(2-oxoazepan-3-yl)sulfonyl-benzoic acid CAS Name: 4-methyl-3-[(2-oxo-3-azepanyl)sulfonyl]benzoic acid IUPAC Name: 4-methyl-3-(2-oxoazepan-3-yl)sulfonylbenzoic acid Traditional Name: 3-(2-ketoazepan-3-yl)sulfonyl-4-methyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2CCCCNC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2CCCCNC2=O

InChI

InChI=1S/C14H17NO5S/c1-9-5-6-10(14(17)18)8-12(9)21(19,20)11-4-2-3-7-15-13(11)16/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)(H,17,18)