N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-nitrothiophen-2-yl)methanimine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-nitrothiophen-2-yl)methanimine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-nitro-2-thienyl)methanimine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(5-nitro-2-thiophenyl)methanimine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(5-nitrothiophen-2-yl)methanimine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[(5-nitro-2-thienyl)methylene]amine Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S2/c21-20(22)17-10-7-15(25-17)13-18-14-5-8-16(9-6-14)26(23,24)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12H2