N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-ethyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-homopiperonyl-3-morpholinosulfonyl-benzamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O6S/c1-2-17-4-5-18(14-21(17)31(26,27)24-9-11-28-12-10-24)22(25)23-8-7-16-3-6-19-20(13-16)30-15-29-19/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,25)