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

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (2-bromobenzyl)-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C18H20BrN3O5S MolecularWeight: 470.3375

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20BrN3O5S/c1-20(13-14-4-2-3-5-16(14)19)17-7-6-15(22(23)24)12-18(17)28(25,26)21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3