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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic 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-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H26ClNO6S/c1-18-10-12-21(13-11-18)37(33,34)30-14-6-9-27(31)35-26-17-25-22(16-24(26)29)19(2)23(28(32)36-25)15-20-7-4-3-5-8-20/h3-5,7-8,10-13,16-17,30H,6,9,14-15H2,1-2H3