3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)isochroman-1-one CAS Name: 3-[oxo-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: 3-(4-pyrrolidinosulfonylpiperazine-1-carbonyl)isochroman-1-one Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H23N3O5S/c22-17(16-13-14-5-1-2-6-15(14)18(23)26-16)19-9-11-21(12-10-19)27(24,25)20-7-3-4-8-20/h1-2,5-6,16H,3-4,7-13H2