4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O5S/c1-13(2)21-28(25,26)16-6-7-17(18(12-16)22(23)24)20-9-10-27-19-8-5-14(3)11-15(19)4/h5-8,11-13,20-21H,9-10H2,1-4H3