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

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C28H26N2O8S MolecularWeight: 550.57964

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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(=CO3)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(=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H26N2O8S/c1-19-6-13-23(14-7-19)39(35,36)29-16-4-2-3-5-27(31)38-22-12-15-24-26(17-22)37-18-25(28(24)32)20-8-10-21(11-9-20)30(33)34/h6-15,17-18,29H,2-5,16H2,1H3