N2,N2-diethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)propane-1,2-diamine

Systemtic Name: N2,N2-diethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)propane-1,2-diamine Openeye Name: N2,N2-diethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)propane-1,2-diamine CAS Name: N2,N2-diethyl-N1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]propane-1,2-diamine IUPAC Name: 2-N,2-N-diethyl-1-N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)propane-1,2-diamine Traditional Name: diethyl-[1-methyl-2-(4-nitro-2-pyrrolidinosulfonyl-anilino)ethyl]amine Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CCN(CC)C(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H28N4O4S/c1-4-19(5-2)14(3)13-18-16-9-8-15(21(22)23)12-17(16)26(24,25)20-10-6-7-11-20/h8-9,12,14,18H,4-7,10-11,13H2,1-3H3