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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-13-3-4-14(11-16(13)22(24)25)21-19(23)7-8-20-30(26,27)15-5-6-17-18(12-15)29-10-2-9-28-17/h3-6,11-12,20H,2,7-10H2,1H3,(H,21,23)