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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholinophenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(4-morpholinyl)phenyl]methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-morpholinobenzyl)butyramide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-33(28,29)26(20-8-9-21-22(15-20)32-17-31-21)10-2-3-23(27)24-16-18-4-6-19(7-5-18)25-11-13-30-14-12-25/h4-9,15H,2-3,10-14,16-17H2,1H3,(H,24,27)