phenyl 4-[[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: phenyl 4-[[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: phenyl 4-[[2,4-dimethyl-N-(p-tolylsulfonyl)anilino]methyl]benzoate CAS Name: 4-[(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)methyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)methyl]benzoate Traditional Name: 4-[(2,4-dimethyl-N-tosyl-anilino)methyl]benzoic acid phenyl ester Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C29H27NO4S/c1-21-9-16-27(17-10-21)35(32,33)30(28-18-11-22(2)19-23(28)3)20-24-12-14-25(15-13-24)29(31)34-26-7-5-4-6-8-26/h4-19H,20H2,1-3H3