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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N',N'-diisopropyl-ethane-1,2-diamine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethyl-diisopropyl-amine Formula: C20H34N4O4S MolecularWeight: 426.57336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)N(CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H34N4O4S/c1-16(2)23(17(3)4)14-11-21-19-10-9-18(15-20(19)24(25)26)29(27,28)22-12-7-5-6-8-13-22/h9-10,15-17,21H,5-8,11-14H2,1-4H3