N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC(=O)NC3CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC(=O)NC3CC3)OC1

InChI

InChI=1S/C17H23N3O6S/c21-16(18-11-17(22)20-12-2-3-12)6-7-19-27(23,24)13-4-5-14-15(10-13)26-9-1-8-25-14/h4-5,10,12,19H,1-3,6-9,11H2,(H,18,21)(H,20,22)