3,5-dinitro-4-[2-oxidanylpropyl(prop-2-enyl)amino]benzenesulfonamide

Systemtic Name: 3,5-dinitro-4-[2-oxidanylpropyl(prop-2-enyl)amino]benzenesulfonamide Openeye Name: 4-[allyl(2-hydroxypropyl)amino]-3,5-dinitro-benzenesulfonamide CAS Name: 4-[2-hydroxypropyl(prop-2-enyl)amino]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-[2-hydroxypropyl(prop-2-enyl)amino]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-[allyl(2-hydroxypropyl)amino]-3,5-dinitro-benzenesulfonamide Formula: C12H16N4O7S MolecularWeight: 360.34304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O7S/c1-3-4-14(7-8(2)17)12-10(15(18)19)5-9(24(13,22)23)6-11(12)16(20)21/h3,5-6,8,17H,1,4,7H2,2H3,(H2,13,22,23)