2-chloranyl-N-[4-(2-cyanopropan-2-yl)phenyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(2-cyanopropan-2-yl)phenyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-5-morpholinosulfonyl-benzamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-21(2,14-23)15-3-5-16(6-4-15)24-20(26)18-13-17(7-8-19(18)22)30(27,28)25-9-11-29-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,24,26)