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

Systemtic Name: N,N-diethyl-4-[3-(3-methylphenoxy)propoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-(3-methylphenoxy)propoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(3-methylphenoxy)propoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-(3-methylphenoxy)propoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[3-(3-methylphenoxy)propoxy]-3-nitro-benzenesulfonamide Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCCOC2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCCOC2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O6S/c1-4-21(5-2)29(25,26)18-10-11-20(19(15-18)22(23)24)28-13-7-12-27-17-9-6-8-16(3)14-17/h6,8-11,14-15H,4-5,7,12-13H2,1-3H3