[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C29H29NO6S MolecularWeight: 519.60866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C29H29NO6S/c1-19-11-13-23(14-12-19)37(33,34)30-17-7-10-27(31)35-26-16-15-24-20(2)25(18-22-8-5-4-6-9-22)29(32)36-28(24)21(26)3/h4-6,8-9,11-16,30H,7,10,17-18H2,1-3H3