3,4-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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