N-[2-(aminomethyl)-2-oxidanyl-3-phenyl-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(aminomethyl)-2-oxidanyl-3-phenyl-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(aminomethyl)-2-hydroxy-3-phenyl-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(aminomethyl)-2-hydroxy-3-phenylpropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(aminomethyl)-2-hydroxy-3-phenylpropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(aminomethyl)-2-hydroxy-3-phenyl-propyl]-4-nitro-benzenesulfonamide Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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