7,8-dimethyl-4-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]coumarin Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O8S/c1-14-3-5-18-16(11-21(25)32-22(18)15(14)2)13-31-20-6-4-17(12-19(20)24(26)27)33(28,29)23-7-9-30-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3