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

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[(4-morpholinophenyl)methyl]propanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(4-morpholinobenzyl)propionamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-17-4-8-21(9-5-17)25(30(3,27)28)18(2)22(26)23-16-19-6-10-20(11-7-19)24-12-14-29-15-13-24/h4-11,18H,12-16H2,1-3H3,(H,23,26)