[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C22H28N2O6S/c1-4-29-19-9-11-20(12-10-19)31(27,28)24-18-7-5-17(6-8-18)22(26)30-15-21(25)23-14-13-16(2)3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,25)