2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isopentyl)amino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isoamyl)amino]-N-(3-nitrophenyl)acetamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O7S/c1-15(2)8-9-23(14-21(25)22-16-4-3-5-17(12-16)24(26)27)32(28,29)18-6-7-19-20(13-18)31-11-10-30-19/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,25)