ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoate CAS Name: 4-(ethylamino)-3-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 4-(ethylamino)-3-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]benzoic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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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)N3CCCC3

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O6S2/c1-3-22-19-12-7-16(21(25)30-4-2)15-20(19)23-31(26,27)17-8-10-18(11-9-17)32(28,29)24-13-5-6-14-24/h7-12,15,22-23H,3-6,13-14H2,1-2H3