4-(azepan-1-ylsulfonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(5-chloro-2-thiophenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(5-chloro-2-thienyl)methyl]-methyl-amine Formula: C18H22ClN3O4S2 MolecularWeight: 443.96798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O4S2/c1-20(13-14-6-9-18(19)27-14)16-8-7-15(12-17(16)22(23)24)28(25,26)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3