(3S)-3-phenyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-phenyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-6-(4-benzylsulfonylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one CAS Name: (3S)-6-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-6-(4-benzylsulfonylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: (3S)-6-(4-benzylsulfonylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O5S/c30-26(28-13-15-29(16-14-28)35(32,33)19-20-7-3-1-4-8-20)22-11-12-24-23(17-22)18-25(34-27(24)31)21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2/t25-/m0/s1