[2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid [2-methyl-3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid [4-keto-2-methyl-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C29H28N2O8S MolecularWeight: 564.60622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H28N2O8S/c1-19-7-14-24(15-8-19)40(36,37)30-17-5-3-4-6-27(32)39-23-13-16-25-26(18-23)38-20(2)28(29(25)33)21-9-11-22(12-10-21)31(34)35/h7-16,18,30H,3-6,17H2,1-2H3