N-[(E)-1-(5-bromanylthiophen-2-yl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-1-(5-bromanylthiophen-2-yl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-1-(5-bromo-2-thienyl)ethylideneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-1-(5-bromo-2-thiophenyl)ethylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-1-(5-bromo-2-thienyl)ethylideneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C16H17BrN4O5S2 MolecularWeight: 489.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=C(S3)Br

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])/C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN4O5S2/c1-11(15-4-5-16(17)27-15)18-19-13-3-2-12(10-14(13)21(22)23)28(24,25)20-6-8-26-9-7-20/h2-5,10,19H,6-9H2,1H3/b18-11+