N-(2-cyclopentylsulfanylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[2-(cyclopentylthio)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-3-(tosylamino)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC=C2SC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC=C2SC3CCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-16-10-12-18(13-11-16)28(25,26)22-15-14-21(24)23-19-8-4-5-9-20(19)27-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,23,24)