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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: homoveratryl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O7S/c1-28-19-6-3-15(13-20(19)29-2)7-8-21-17-5-4-16(14-18(17)23(24)25)31(26,27)22-9-11-30-12-10-22/h3-6,13-14,21H,7-12H2,1-2H3