2-nitro-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 2-nitro-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-N-[(1S)-1-(benzyloxymethyl)allyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 2-nitro-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-N-[(1S)-1-(benzoxymethyl)allyl]-2-nitro-benzenesulfonamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(COCC1=CC=CC=C1)C=C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCN([C@H](COCC1=CC=CC=C1)C=C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-3-14-21(18(4-2)16-27-15-17-10-6-5-7-11-17)28(25,26)20-13-9-8-12-19(20)22(23)24/h3-13,18H,1-2,14-16H2/t18-/m0/s1