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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-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) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-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:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C30H30ClNO6S/c1-18(2)14-26(32-39(35,36)22-12-10-19(3)11-13-22)30(34)38-28-17-27-23(16-25(28)31)20(4)24(29(33)37-27)15-21-8-6-5-7-9-21/h5-13,16-18,26,32H,14-15H2,1-4H3