3-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-morpholinosulfonylphenyl)methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-morpholinosulfonylbenzyl)propionamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6S/c24-21(8-4-16-3-7-19-20(13-16)29-15-28-19)22-14-17-1-5-18(6-2-17)30(25,26)23-9-11-27-12-10-23/h1-3,5-7,13H,4,8-12,14-15H2,(H,22,24)