N-(2-dimethylaminoethyl)-3-nitro-4-(2-prop-2-enylphenoxy)benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-(2-prop-2-enylphenoxy)benzenesulfonamide Openeye Name: 4-(2-allylphenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-(2-prop-2-enylphenoxy)benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-(2-prop-2-enylphenoxy)benzenesulfonamide Traditional Name: 4-(2-allylphenoxy)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2CC=C)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-4-7-15-8-5-6-9-18(15)27-19-11-10-16(14-17(19)22(23)24)28(25,26)20-12-13-21(2)3/h4-6,8-11,14,20H,1,7,12-13H2,2-3H3