3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propanamide CAS Name: 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propanamide Traditional Name: 3-[benzyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propionamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CCC(=O)N)CC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CCC(=O)N)CC3=CC=CC=C3)OC1

InChI

InChI=1S/C19H22N2O5S/c20-19(22)9-10-21(14-15-5-2-1-3-6-15)27(23,24)16-7-8-17-18(13-16)26-12-4-11-25-17/h1-3,5-8,13H,4,9-12,14H2,(H2,20,22)