(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25NO6S/c29-25-17-21(26-23-11-4-3-8-19(23)12-13-24(26)34-25)18-33-27(30)20-9-7-10-22(16-20)35(31,32)28-14-5-1-2-6-15-28/h3-4,7-13,16-17H,1-2,5-6,14-15,18H2