N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-ethyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-ethyl-3-morpholinosulfonyl-benzamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H27N3O4S2/c1-2-18-7-8-19(15-22(18)32(28,29)26-10-12-30-13-11-26)23(27)25-9-14-31-17-21-6-4-3-5-20(21)16-24/h3-8,15H,2,9-14,17H2,1H3,(H,25,27)