[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis(p-phenetylsulfonylamino)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C28H31N3O9S2 MolecularWeight: 617.69044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3CC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)NC3CC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H31N3O9S2/c1-3-38-23-7-11-25(12-8-23)41(34,35)30-21-15-19(28(33)40-18-27(32)29-20-5-6-20)16-22(17-21)31-42(36,37)26-13-9-24(10-14-26)39-4-2/h7-17,20,30-31H,3-6,18H2,1-2H3,(H,29,32)