[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-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=CC(=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC(=CC3=C2C(=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)30-15-7-10-27(31)35-25-16-20(2)17-26-28(25)21(3)24(29(32)36-26)18-22-8-5-4-6-9-22/h4-6,8-9,11-14,16-17,30H,7,10,15,18H2,1-3H3