2-nitro-N-(3-oxidanylpropyl)-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 2-nitro-N-(3-oxidanylpropyl)-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-(3-hydroxypropyl)-2-nitro-benzenesulfonamide CAS Name: N-(3-hydroxypropyl)-2-nitro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide Traditional Name: N-benzyl-N-(3-hydroxypropyl)-2-nitro-benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c19-12-6-11-17(13-14-7-2-1-3-8-14)24(22,23)16-10-5-4-9-15(16)18(20)21/h1-5,7-10,19H,6,11-13H2