N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[(1S)-1-p-phenetylethyl]benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-3-23-15-9-7-13(8-10-15)12(2)17-24(21,22)16-6-4-5-14(11-16)18(19)20/h4-12,17H,3H2,1-2H3/t12-/m0/s1