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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic 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]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C33H28ClNO6S MolecularWeight: 602.09652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=C(C(=O)OC4=C3)CC5=CC=CC=C5)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=C(C(=O)OC4=C3)CC5=CC=CC=C5)C)Cl

InChI

InChI=1S/C33H28ClNO6S/c1-21-13-15-25(16-14-21)42(38,39)35-29(18-24-11-7-4-8-12-24)33(37)41-31-20-30-26(19-28(31)34)22(2)27(32(36)40-30)17-23-9-5-3-6-10-23/h3-16,19-20,29,35H,17-18H2,1-2H3