tert-butyl 4-[3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propyl]piperazine-1-carboxylate CAS Name: 4-[3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H35N5O6S MolecularWeight: 497.6082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O6S/c1-22(2,3)33-21(28)25-15-13-24(14-16-25)10-6-9-23-19-8-7-18(17-20(19)27(29)30)34(31,32)26-11-4-5-12-26/h7-8,17,23H,4-6,9-16H2,1-3H3