4-cyano-5-ethyl-1-methyl-3-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-5-ethyl-1-methyl-3-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethyl-3-[4-[2-(isopropylsulfonylamino)ethyl]phenyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-ethyl-1-methyl-3-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethyl-1-methyl-3-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-3-[4-[2-(isopropylsulfonylamino)ethyl]phenyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C(C)C)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C(C)C)C#N

InChI

InChI=1S/C20H25N3O4S/c1-5-17-16(12-21)18(19(20(24)25)23(17)4)15-8-6-14(7-9-15)10-11-22-28(26,27)13(2)3/h6-9,13,22H,5,10-11H2,1-4H3,(H,24,25)