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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)pentanoate CAS Name: 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) 2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-(tosylamino)valeric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H28ClNO6S MolecularWeight: 554.05372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C29H28ClNO6S/c1-4-8-25(31-38(34,35)21-13-11-18(2)12-14-21)29(33)37-27-17-26-22(16-24(27)30)19(3)23(28(32)36-26)15-20-9-6-5-7-10-20/h5-7,9-14,16-17,25,31H,4,8,15H2,1-3H3