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

Systemtic Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-[(2-cyanophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-[(2-cyanobenzyl)thio]ethyl]propionamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-23(2,3)20-8-10-21(11-9-20)31(28,29)26-13-12-22(27)25-14-15-30-17-19-7-5-4-6-18(19)16-24/h4-11,26H,12-15,17H2,1-3H3,(H,25,27)