N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-3-nitro-benzenesulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-3-nitro-benzenesulfonamide Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c17-15(9-12-5-2-1-3-6-12)16(20)11-18-25(23,24)14-8-4-7-13(10-14)19(21)22/h1-8,10,15-16,18,20H,9,11,17H2