(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO6S/c1-19-26(20-9-4-2-5-10-20)27(30)24-14-13-22(18-25(24)34-19)35-28(31)21-11-8-12-23(17-21)36(32,33)29-15-6-3-7-16-29/h2,4-5,8-14,17-18H,3,6-7,15-16H2,1H3