3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C24H28N2O5S MolecularWeight: 456.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-3-17(2)18-8-10-20(11-9-18)32(29,30)26-14-12-25(13-15-26)23(27)22-16-19-6-4-5-7-21(19)24(28)31-22/h4-11,17,22H,3,12-16H2,1-2H3