tert-butyl N-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]ethyl]carbamate CAS Name: N-[2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]ethyl]carbamate Traditional Name: N-[2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]ethyl]carbamic acid tert-butyl ester Formula: C14H20ClN3O6S MolecularWeight: 393.8431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O6S/c1-14(2,3)24-13(19)16-7-8-17(4)25(22,23)10-5-6-11(15)12(9-10)18(20)21/h5-6,9H,7-8H2,1-4H3,(H,16,19)