(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27NO7S/c1-29-19-13-12-18(16-20(19)32(27,28)24-14-8-3-4-9-15-24)22(25)31-21(23(26)30-2)17-10-6-5-7-11-17/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3