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

Systemtic Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate CAS Name: 4-(ethylamino)-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-(ethylamino)-3-[(4-pyrrolidinosulfonylbenzoyl)amino]benzoic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-23-19-12-9-17(22(27)30-4-2)15-20(19)24-21(26)16-7-10-18(11-8-16)31(28,29)25-13-5-6-14-25/h7-12,15,23H,3-6,13-14H2,1-2H3,(H,24,26)