(2-butoxy-2-oxidanylidene-ethyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

InChI

InChI=1S/C22H25NO7S/c1-3-4-13-29-21(24)15-30-22(25)18-14-17(9-10-20(18)28-2)31(26,27)23-12-11-16-7-5-6-8-19(16)23/h5-10,14H,3-4,11-13,15H2,1-2H3