[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C26H28N2O5S/c1-19(2)28(24-15-13-23(14-16-24)27-22-7-5-4-6-8-22)25(29)17-33-26(30)21-11-9-20(10-12-21)18-34(3,31)32/h4-16,19,27H,17-18H2,1-3H3