N-tert-butyl-3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)20-27(25,26)14-9-10-15(16(11-14)21(23)24)19-12-17(22)13-7-5-4-6-8-13/h4-11,17,19-20,22H,12H2,1-3H3/t17-/m1/s1