ethyl 4-(ethylamino)-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: ethyl 4-(ethylamino)-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: ethyl 4-(ethylamino)-3-[(4-morpholinosulfonylphenyl)sulfonylamino]benzoate CAS Name: 4-(ethylamino)-3-[[4-(4-morpholinylsulfonyl)phenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 4-(ethylamino)-3-[(4-morpholinosulfonylphenyl)sulfonylamino]benzoic acid ethyl ester Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O7S2/c1-3-22-19-10-5-16(21(25)31-4-2)15-20(19)23-32(26,27)17-6-8-18(9-7-17)33(28,29)24-11-13-30-14-12-24/h5-10,15,22-23H,3-4,11-14H2,1-2H3