N,N-diethyl-4-[methyl(2-phenoxyethyl)amino]-3-nitro-benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

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