3,5-dinitro-4-(5-oxidanylhexan-3-ylamino)benzenesulfonamide

Systemtic Name: 3,5-dinitro-4-(5-oxidanylhexan-3-ylamino)benzenesulfonamide Openeye Name: 4-[(1-ethyl-3-hydroxy-butyl)amino]-3,5-dinitro-benzenesulfonamide CAS Name: 4-(5-hydroxyhexan-3-ylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-(5-hydroxyhexan-3-ylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: 4-[(1-ethyl-3-hydroxy-butyl)amino]-3,5-dinitro-benzenesulfonamide Formula: C12H18N4O7S MolecularWeight: 362.35892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC(C)O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O7S/c1-3-8(4-7(2)17)14-12-10(15(18)19)5-9(24(13,22)23)6-11(12)16(20)21/h5-8,14,17H,3-4H2,1-2H3,(H2,13,22,23)