N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(3,5-dimethylphenyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(3,5-dimethylphenyl)-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (3,5-dimethylphenyl)-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S/c1-13-9-14(2)11-15(10-13)19-17-4-3-16(12-18(17)21(22)23)27(24,25)20-5-7-26-8-6-20/h3-4,9-12,19H,5-8H2,1-2H3