(2-methyl-2-phenyl-3-phenylazanyl-indol-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-phenyl-3-phenylazanyl-indol-5-yl) 4-methylbenzenesulfonate Openeye Name: (3-anilino-2-methyl-2-phenyl-indol-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-anilino-2-methyl-2-phenyl-5-indolyl) ester IUPAC Name: (3-anilino-2-methyl-2-phenylindol-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-anilino-2-methyl-2-phenyl-indol-5-yl) ester Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C(N=C3C=C2)(C)C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C(N=C3C=C2)(C)C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3S/c1-20-13-16-24(17-14-20)34(31,32)33-23-15-18-26-25(19-23)27(29-22-11-7-4-8-12-22)28(2,30-26)21-9-5-3-6-10-21/h3-19,29H,1-2H3