4-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)carbonyl-isochromen-1-one

Systemtic Name: 4-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)carbonyl-isochromen-1-one Openeye Name: 4-phenyl-3-[4-(1-piperidylsulfonyl)benzoyl]isochromen-1-one CAS Name: 3-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 4-phenyl-3-(4-piperidin-1-ylsulfonylbenzoyl)isochromen-1-one Traditional Name: 4-phenyl-3-(4-piperidinosulfonylbenzoyl)isocoumarin Formula: C27H23NO5S MolecularWeight: 473.54022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C27H23NO5S/c29-25(20-13-15-21(16-14-20)34(31,32)28-17-7-2-8-18-28)26-24(19-9-3-1-4-10-19)22-11-5-6-12-23(22)27(30)33-26/h1,3-6,9-16H,2,7-8,17-18H2