[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C25H32N2O5S/c1-17-15-18(2)23(19(3)16-17)26-24(28)20(4)32-25(29)21-9-11-22(12-10-21)33(30,31)27-13-7-5-6-8-14-27/h9-12,15-16,20H,5-8,13-14H2,1-4H3,(H,26,28)