tert-butyl 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(4-nitrophenyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(4-nitrophenyl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4S/c1-16(2,3)22-15(19)17-10-8-14(9-11-17)23-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3