2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-morpholinobenzyl)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O6S/c1-31(26,27)24(18-6-7-19-20(12-18)30-15-29-19)14-21(25)22-13-16-2-4-17(5-3-16)23-8-10-28-11-9-23/h2-7,12H,8-11,13-15H2,1H3,(H,22,25)