[(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29NO7S/c1-17(23(26)21-13-10-19(30-2)16-22(21)31-3)32-24(27)18-8-11-20(12-9-18)33(28,29)25-14-6-4-5-7-15-25/h8-13,16-17H,4-7,14-15H2,1-3H3/t17-/m0/s1