(3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-nitro-2H-chromen-4-one

Systemtic Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-nitro-2H-chromen-4-one Openeye Name: (3R)-6-methyl-3-[[(3S)-3-methyl-1-piperidyl]methyl]-8-nitro-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-methyl-3-[(4-methylphenyl)thio]-3-[[(3S)-3-methyl-1-piperidinyl]methyl]-8-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-nitro-2H-chromen-4-one Traditional Name: (3R)-6-methyl-3-[[(3S)-3-methylpiperidino]methyl]-8-nitro-3-(p-tolylthio)chroman-4-one Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])SC4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1CCCN(C1)C[C@]2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])SC4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O4S/c1-16-6-8-19(9-7-16)31-24(14-25-10-4-5-17(2)13-25)15-30-22-20(23(24)27)11-18(3)12-21(22)26(28)29/h6-9,11-12,17H,4-5,10,13-15H2,1-3H3/t17-,24+/m0/s1