(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4

InChI

InChI=1S/C25H25NO6S/c27-24(17-7-5-8-19(15-17)33(29,30)26-13-3-1-2-4-14-26)31-18-11-12-21-20-9-6-10-22(20)25(28)32-23(21)16-18/h5,7-8,11-12,15-16H,1-4,6,9-10,13-14H2