N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-(2-cyanoethanoylamino)benzamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-(2-cyanoethanoylamino)benzamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-[(2-cyanoacetyl)amino]benzamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-[(2-cyano-1-oxoethyl)amino]benzamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-[(2-cyanoacetyl)amino]benzamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-[(2-cyanoacetyl)amino]benzamide Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H19ClN4O5S/c21-17-6-5-16(31(28,29)25-9-11-30-12-10-25)13-18(17)24-20(27)14-1-3-15(4-2-14)23-19(26)7-8-22/h1-6,13H,7,9-12H2,(H,23,26)(H,24,27)