N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (2,4-dimethylbenzyl)-methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-15-4-5-17(16(2)12-15)14-21(3)19-7-6-18(13-20(19)23(24)25)29(26,27)22-8-10-28-11-9-22/h4-7,12-13H,8-11,14H2,1-3H3