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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-17(22(25)18-10-6-5-7-11-18)30-23(26)19-12-13-20(29-2)21(16-19)31(27,28)24-14-8-3-4-9-15-24/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3