(3R)-3-methyl-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-4H-isochromen-1-one

Systemtic Name: (3R)-3-methyl-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-4H-isochromen-1-one Openeye Name: (3R)-3-methyl-3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-methyl-3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-methyl-3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-4H-isochromen-1-one Traditional Name: (3R)-3-methyl-3-(4-nosylpiperazine-1-carbonyl)isochroman-1-one Formula: C21H21N3O7S MolecularWeight: 459.47234

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=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-21(14-15-4-2-3-5-18(15)19(25)31-21)20(26)22-10-12-23(13-11-22)32(29,30)17-8-6-16(7-9-17)24(27)28/h2-9H,10-14H2,1H3/t21-/m1/s1