N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-sulfanylethyl)propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-sulfanylethyl)propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-2-(p-tolylsulfonylamino)-N-(2-sulfanylethyl)propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-N-(2-mercaptoethyl)-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-(2-sulfanylethyl)propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-N-(2-mercaptoethyl)-2-(tosylamino)propionamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N(CCS)CC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N(CCS)CC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O5S2/c1-15-5-9-19(10-6-15)30(25,26)22-16(2)21(24)23(11-12-29)14-17-7-8-18(27-3)13-20(17)28-4/h5-10,13,16,22,29H,11-12,14H2,1-4H3