(3S)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]isochroman-1-one Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N2O5S2/c21-17(15-12-13-4-1-2-5-14(13)18(22)25-15)19-7-9-20(10-8-19)27(23,24)16-6-3-11-26-16/h1-6,11,15H,7-10,12H2/t15-/m0/s1