(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C28H27NO7S MolecularWeight: 521.58148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H27NO7S/c1-34-23-12-11-20(16-25(23)37(32,33)29-14-6-2-3-7-15-29)28(31)35-18-21-17-26(30)36-24-13-10-19-8-4-5-9-22(19)27(21)24/h4-5,8-13,16-17H,2-3,6-7,14-15,18H2,1H3