(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H22ClNO6S MolecularWeight: 499.96328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO6S/c1-15(2)24(27-34(30,31)19-10-8-18(26)9-11-19)25(29)32-14-17-13-22(28)33-21-12-7-16-5-3-4-6-20(16)23(17)21/h3-13,15,24,27H,14H2,1-2H3