N,N-diethyl-4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-methoxy-5-methyl-benzyl)-methyl-amino]-3-nitro-benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC(=C2)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC(=C2)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-6-22(7-2)29(26,27)17-9-10-18(19(13-17)23(24)25)21(4)14-16-12-15(3)8-11-20(16)28-5/h8-13H,6-7,14H2,1-5H3