3-[(4-methylphenyl)sulfonylamino]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-3-(tosylamino)propionamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2COC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2COC(C)C

InChI

InChI=1S/C21H28N2O4S/c1-16(2)27-15-19-7-5-4-6-18(19)14-22-21(24)12-13-23-28(25,26)20-10-8-17(3)9-11-20/h4-11,16,23H,12-15H2,1-3H3,(H,22,24)