(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H27N3O8S MolecularWeight: 517.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H27N3O8S/c1-14(2)18-11-19-16(9-23(28)35-22(19)8-15(18)3)13-34-24(29)12-25-36(32,33)17-6-7-20(26(4)5)21(10-17)27(30)31/h6-11,14,25H,12-13H2,1-5H3