tert-butyl 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O7S MolecularWeight: 482.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O7S/c1-21(2,3)32-20(27)23-9-7-16(8-10-23)19(26)22-11-13-24(14-12-22)33(30,31)18-6-4-5-17(15-18)25(28)29/h4-6,15-16H,7-14H2,1-3H3