N-[4-(cyanomethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O5S/c1-27-18-7-4-16(14-19(18)29(25,26)23-10-12-28-13-11-23)20(24)22-17-5-2-15(3-6-17)8-9-21/h2-7,14H,8,10-13H2,1H3,(H,22,24)