4-[5-[(2-chlorophenyl)methylamino]-4-cyano-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[5-[(2-chlorophenyl)methylamino]-4-cyano-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[5-[(2-chlorophenyl)methylamino]-4-cyano-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[5-[(2-chlorophenyl)methylamino]-4-cyano-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[5-[(2-chlorophenyl)methylamino]-4-cyano-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[5-[(2-chlorobenzyl)amino]-4-cyano-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H21ClN4O3S/c1-3-26(4-2)30(27,28)17-11-9-15(10-12-17)20-25-19(13-23)21(29-20)24-14-16-7-5-6-8-18(16)22/h5-12,24H,3-4,14H2,1-2H3