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

Systemtic Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethyl-pentanamide Openeye Name: 3-methyl-N-phenethyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethylpentanamide IUPAC Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenethylpentanamide Traditional Name: 3-methyl-N-phenethyl-2-(tosylamino)valeramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O3S/c1-4-17(3)20(21(24)22-15-14-18-8-6-5-7-9-18)23-27(25,26)19-12-10-16(2)11-13-19/h5-13,17,20,23H,4,14-15H2,1-3H3,(H,22,24)