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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H27NO6S/c1-19-10-13-23(14-11-19)36(32,33)29-16-6-9-27(30)34-22-12-15-24-20(2)25(28(31)35-26(24)18-22)17-21-7-4-3-5-8-21/h3-5,7-8,10-15,18,29H,6,9,16-17H2,1-2H3