2-[methyl-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[methyl-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[methyl-(3-methyl-4-oxo-2-phenyl-chromen-8-yl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[methyl-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)sulfonyl]amino]ethyl ester IUPAC Name: 2-[methyl-(3-methyl-4-oxo-2-phenylchromen-8-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)sulfonyl-methyl-amino]ethyl ester Formula: C26H25NO7S2 MolecularWeight: 527.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)S(=O)(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)S(=O)(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO7S2/c1-18-12-14-21(15-13-18)36(31,32)33-17-16-27(3)35(29,30)23-11-7-10-22-24(28)19(2)25(34-26(22)23)20-8-5-4-6-9-20/h4-15H,16-17H2,1-3H3