[4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [4-keto-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ester Formula: C30H25N3O6S MolecularWeight: 555.601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CN(N=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CN(N=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H25N3O6S/c34-29-26-13-12-24(17-28(26)38-20-27(29)22-18-31-33(19-22)23-9-3-1-4-10-23)39-30(35)21-8-7-11-25(16-21)40(36,37)32-14-5-2-6-15-32/h1,3-4,7-13,16-20H,2,5-6,14-15H2