tert-butyl 4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate CAS Name: 4-[3-nitro-4-(phenylthio)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-nitro-4-phenylsulfanylphenyl)piperazine-1-carboxylate Traditional Name: 4-[3-nitro-4-(phenylthio)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(25)23-13-11-22(12-14-23)16-9-10-19(18(15-16)24(26)27)29-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3