2-[cyanomethyl-(phenylmethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[cyanomethyl-(phenylmethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[benzyl(cyanomethyl)amino]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[cyanomethyl-(phenylmethyl)amino]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[benzyl(cyanomethyl)amino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[benzyl(cyanomethyl)amino]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN(CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN(CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c22-9-10-24(16-18-5-2-1-3-6-18)17-21(26)23-19-7-4-8-20(15-19)30(27,28)25-11-13-29-14-12-25/h1-8,15H,10-14,16-17H2,(H,23,26)