4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethyl-pentanamide

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethyl-pentanamide Openeye Name: 4-methyl-N-phenethyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethylpentanamide IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethylpentanamide Traditional Name: 4-methyl-N-phenethyl-2-(tosylamino)valeramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c1-16(2)15-20(21(24)22-14-13-18-7-5-4-6-8-18)23-27(25,26)19-11-9-17(3)10-12-19/h4-12,16,20,23H,13-15H2,1-3H3,(H,22,24)