7-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one

Systemtic Name: 7-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 7-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]chromen-2-one CAS Name: 7-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 7-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 7-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S/c1-14-8-10-22(11-9-14)31(27,28)17-5-6-19(18(13-17)23(25)26)29-16-4-2-15-3-7-21(24)30-20(15)12-16/h2-7,12-14H,8-11H2,1H3