4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzamide

Systemtic Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzamide Openeye Name: 4-[[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]methyl]benzamide CAS Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]methyl]benzamide IUPAC Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzamide Traditional Name: 4-[[[(2S)-3-methyl-2-(tosylamino)butanoyl]amino]methyl]benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C20H25N3O4S/c1-13(2)18(23-28(26,27)17-10-4-14(3)5-11-17)20(25)22-12-15-6-8-16(9-7-15)19(21)24/h4-11,13,18,23H,12H2,1-3H3,(H2,21,24)(H,22,25)/t18-/m0/s1