[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C32H33NO8S MolecularWeight: 591.67132

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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=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C32H33NO8S/c1-21-8-12-25(13-9-21)42(36,37)33-16-5-3-4-7-30(34)41-24-11-14-26-28(20-24)40-22(2)31(32(26)35)23-10-15-27-29(19-23)39-18-6-17-38-27/h8-15,19-20,33H,3-7,16-18H2,1-2H3