[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29NO6S/c1-31-23-12-11-21(16-24(23)33(29,30)26-13-4-2-3-5-14-26)25(28)32-17-22(27)20-10-9-18-7-6-8-19(18)15-20/h9-12,15-16H,2-8,13-14,17H2,1H3