(2-methyl-2-phenyl-3-phenylazanyl-indol-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-phenyl-3-phenylazanyl-indol-7-yl) 4-methylbenzenesulfonate Openeye Name: (3-anilino-2-methyl-2-phenyl-indol-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-anilino-2-methyl-2-phenyl-7-indolyl) ester IUPAC Name: (3-anilino-2-methyl-2-phenylindol-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-anilino-2-methyl-2-phenyl-indol-7-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=CC=CC3=C(C(N=C32)(C)C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C(C(N=C32)(C)C4=CC=CC=C4)NC5=CC=CC=C5

InChI

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