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

Systemtic Name: 3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-12(2)19-26(24,25)14-8-9-15(16(10-14)20(22)23)18-11-17(21)13-6-4-3-5-7-13/h3-10,12,17-19,21H,11H2,1-2H3/t17-/m1/s1