N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: homoveratryl-methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O7S/c1-22(9-8-16-4-7-20(29-2)21(14-16)30-3)18-6-5-17(15-19(18)24(25)26)32(27,28)23-10-12-31-13-11-23/h4-7,14-15H,8-13H2,1-3H3