N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholinosulfonylphenyl)propionamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C22H26N2O6S/c25-22(23-18-5-8-20-21(16-18)30-13-1-12-29-20)9-4-17-2-6-19(7-3-17)31(26,27)24-10-14-28-15-11-24/h2-3,5-8,16H,1,4,9-15H2,(H,23,25)