N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H25N3O4S2/c1-2-28-19-7-9-20(10-8-19)30(26,27)24-12-11-21(25)23-13-14-29-16-18-6-4-3-5-17(18)15-22/h3-10,24H,2,11-14,16H2,1H3,(H,23,25)