N2,N2,4-trimethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)pentane-1,2-diamine

Systemtic Name: N2,N2,4-trimethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)pentane-1,2-diamine Openeye Name: N2,N2,4-trimethyl-N1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)pentane-1,2-diamine CAS Name: N2,N2,4-trimethyl-N1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]pentane-1,2-diamine IUPAC Name: 2-N,2-N,4-trimethyl-1-N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)pentane-1,2-diamine Traditional Name: dimethyl-[3-methyl-1-[(4-nitro-2-pyrrolidinosulfonyl-anilino)methyl]butyl]amine Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O4S/c1-14(2)11-16(20(3)4)13-19-17-8-7-15(22(23)24)12-18(17)27(25,26)21-9-5-6-10-21/h7-8,12,14,16,19H,5-6,9-11,13H2,1-4H3