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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H30ClNO6S MolecularWeight: 568.0803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H30ClNO6S/c1-5-19(3)28(32-39(35,36)22-13-11-18(2)12-14-22)30(34)38-27-17-26-23(16-25(27)31)20(4)24(29(33)37-26)15-21-9-7-6-8-10-21/h6-14,16-17,19,28,32H,5,15H2,1-4H3