N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine

Systemtic Name: N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine Openeye Name: N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1-phenyl-ethane-1,2-diamine CAS Name: N,N-dimethyl-N'-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-phenylethane-1,2-diamine IUPAC Name: N,N-dimethyl-N'-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1-phenylethane-1,2-diamine Traditional Name: dimethyl-[2-(2-nitro-4-pyrrolidinosulfonyl-anilino)-1-phenyl-ethyl]amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-22(2)20(16-8-4-3-5-9-16)15-21-18-11-10-17(14-19(18)24(25)26)29(27,28)23-12-6-7-13-23/h3-5,8-11,14,20-21H,6-7,12-13,15H2,1-2H3