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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H25NO6S MolecularWeight: 491.5555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H25NO6S/c1-18-9-10-20(15-24(18)35(31,32)28-13-5-2-6-14-28)27(30)33-17-21-16-25(29)34-23-12-11-19-7-3-4-8-22(19)26(21)23/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3