N-[cyano(phenyl)methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[cyano(phenyl)methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[cyano(phenyl)methyl]-2-morpholino-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[cyano(phenyl)methyl]-2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[cyano(phenyl)methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[cyano(phenyl)methyl]-2-morpholino-5-piperidinosulfonyl-benzamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)NC(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4S/c25-18-22(19-7-3-1-4-8-19)26-24(29)21-17-20(33(30,31)28-11-5-2-6-12-28)9-10-23(21)27-13-15-32-16-14-27/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,29)