[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C22H28N2O5S/c1-15(2)11-12-23-21(25)14-29-22(26)18-7-5-6-8-19(18)24-30(27,28)20-13-16(3)9-10-17(20)4/h5-10,13,15,24H,11-12,14H2,1-4H3,(H,23,25)