tert-butyl N-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[4-(2-nitrophenyl)sulfonylpiperazino]propyl]carbamic acid tert-butyl ester Formula: C18H26N4O7S MolecularWeight: 442.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O7S/c1-18(2,3)29-17(24)19-9-8-16(23)20-10-12-21(13-11-20)30(27,28)15-7-5-4-6-14(15)22(25)26/h4-7H,8-13H2,1-3H3,(H,19,24)