[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-17-8-9-18(2)22(16-17)25-23(27)19(3)31-24(28)20-10-12-21(13-11-20)32(29,30)26-14-6-4-5-7-15-26/h8-13,16,19H,4-7,14-15H2,1-3H3,(H,25,27)