methyl (4S)-4-[(4-aminophenyl)sulfonylamino]-2-methyl-5-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-4-[(4-aminophenyl)sulfonylamino]-2-methyl-5-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(4-aminophenyl)sulfonylamino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[(4-aminophenyl)sulfonylamino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(4-aminophenyl)sulfonylamino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-1-propyl-4-(sulfanilylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H20F3N3O5S MolecularWeight: 435.41801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(C1=O)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C([C@](C1=O)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N)C(=O)OC)C

InChI

InChI=1S/C17H20F3N3O5S/c1-4-9-23-10(2)13(14(24)28-3)16(15(23)25,17(18,19)20)22-29(26,27)12-7-5-11(21)6-8-12/h5-8,22H,4,9,21H2,1-3H3/t16-/m0/s1