7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one

Systemtic Name: 7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 7-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]chromen-2-one CAS Name: 7-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 7-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S/c1-14-3-2-10-22(13-14)31(27,28)17-7-8-19(18(12-17)23(25)26)29-16-6-4-15-5-9-21(24)30-20(15)11-16/h4-9,11-12,14H,2-3,10,13H2,1H3