N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(3-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-4-21(5-2)28(25,26)17-9-10-18(19(14-17)22(23)24)20-11-12-27-16-8-6-7-15(3)13-16/h6-10,13-14,20H,4-5,11-12H2,1-3H3