2-[(3-methylphenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-methyl-N-methylsulfonyl-anilino)-N-[(4-morpholinophenyl)methyl]acetamide CAS Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3-methyl-anilino)-N-(4-morpholinobenzyl)acetamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-17-4-3-5-20(14-17)24(29(2,26)27)16-21(25)22-15-18-6-8-19(9-7-18)23-10-12-28-13-11-23/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)