N'-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine

Systemtic Name: N'-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine Openeye Name: N'-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine CAS Name: N'-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine IUPAC Name: N'-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine Traditional Name: [2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-(2-thienyl)ethyl]-dimethyl-amine Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H28N4O4S2/c1-22(2)19(20-8-7-13-29-20)15-21-17-10-9-16(14-18(17)24(25)26)30(27,28)23-11-5-3-4-6-12-23/h7-10,13-14,19,21H,3-6,11-12,15H2,1-2H3