tert-butyl 4-[2-[(4-methylsulfanylphenyl)-(2-nitrophenyl)sulfonyl-amino]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methylsulfanylphenyl)-(2-nitrophenyl)sulfonyl-amino]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methylsulfanyl-N-(2-nitrophenyl)sulfonyl-anilino)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(methylthio)-N-(2-nitrophenyl)sulfonylanilino]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylsulfanyl-N-(2-nitrophenyl)sulfonylanilino)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(methylthio)-N-(2-nitrophenyl)sulfonyl-anilino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN(C2=CC=C(C=C2)SC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN(C2=CC=C(C=C2)SC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H33N3O6S2/c1-25(2,3)34-24(29)26-16-13-19(14-17-26)15-18-27(20-9-11-21(35-4)12-10-20)36(32,33)23-8-6-5-7-22(23)28(30)31/h5-12,19H,13-18H2,1-4H3