4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-13(2)20-29(25,26)15-5-6-16(17(11-15)22(23)24)21(3)12-14-4-7-18-19(10-14)28-9-8-27-18/h4-7,10-11,13,20H,8-9,12H2,1-3H3