tert-butyl N-ethyl-N-[3-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-ethyl-N-[3-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]carbamate Openeye Name: tert-butyl N-ethyl-N-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)propyl]carbamate CAS Name: N-ethyl-N-[3-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-ethyl-N-[3-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)propyl]carbamate Traditional Name: N-ethyl-N-[3-(4-nitro-2-pyrrolidinosulfonyl-anilino)propyl]carbamic acid tert-butyl ester Formula: C20H32N4O6S MolecularWeight: 456.55628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N4O6S/c1-5-22(19(25)30-20(2,3)4)12-8-11-21-17-10-9-16(24(26)27)15-18(17)31(28,29)23-13-6-7-14-23/h9-10,15,21H,5-8,11-14H2,1-4H3