N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (2-methoxy-5-methyl-benzyl)-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-15-4-7-19(28-3)16(12-15)14-21(2)18-6-5-17(23(24)25)13-20(18)30(26,27)22-8-10-29-11-9-22/h4-7,12-13H,8-11,14H2,1-3H3