N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O4S/c1-12(14-7-5-6-8-15(14)19)20-16-10-9-13(11-17(16)22(23)24)27(25,26)21-18(2,3)4/h5-12,20-21H,1-4H3/t12-/m1/s1