3-methyl-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-4H-isochromen-1-one

Systemtic Name: 3-methyl-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-4H-isochromen-1-one Openeye Name: 3-methyl-3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-methyl-3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-4H-isochromen-1-one Traditional Name: 3-methyl-3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]isochroman-1-one Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N2O5S/c1-25(17-20-8-4-5-9-22(20)23(28)32-25)24(29)26-12-14-27(15-13-26)33(30,31)21-11-10-18-6-2-3-7-19(18)16-21/h2-11,16H,12-15,17H2,1H3