2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-nitrophenyl)acetamide Formula: C16H15N3O7S MolecularWeight: 393.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O7S/c1-27(23,24)18(12-5-6-14-15(8-12)26-10-25-14)9-16(20)17-11-3-2-4-13(7-11)19(21)22/h2-8H,9-10H2,1H3,(H,17,20)