N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline Openeye Name: N-methyl-4-morpholinosulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline CAS Name: N-methyl-4-(4-morpholinylsulfonyl)-2-nitro-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline Traditional Name: methyl-(4-morpholinosulfonyl-2-nitro-phenyl)-(3-nitrobenzyl)amine Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O7S/c1-19(13-14-3-2-4-15(11-14)21(23)24)17-6-5-16(12-18(17)22(25)26)30(27,28)20-7-9-29-10-8-20/h2-6,11-12H,7-10,13H2,1H3