3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-nitrophenyl)propionamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H19N3O7S/c22-18(20-13-3-1-4-14(11-13)21(23)24)7-8-19-29(25,26)15-5-6-16-17(12-15)28-10-2-9-27-16/h1,3-6,11-12,19H,2,7-10H2,(H,20,22)