4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[(4-morpholinophenyl)methyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(4-morpholinobenzyl)butyramide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S/c1-19-6-9-23(17-20(19)2)27(32(3,29)30)12-4-5-24(28)25-18-21-7-10-22(11-8-21)26-13-15-31-16-14-26/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28)