N-(4-cyclopentylsulfanylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide CAS Name: N-[4-(cyclopentylthio)phenyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)SC3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)SC3CCCC3)OC

InChI

InChI=1S/C22H28N2O5S2/c1-28-20-12-11-19(15-21(20)29-2)31(26,27)23-14-13-22(25)24-16-7-9-18(10-8-16)30-17-5-3-4-6-17/h7-12,15,17,23H,3-6,13-14H2,1-2H3,(H,24,25)