1-cyano-3-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine

Systemtic Name: 1-cyano-3-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine Openeye Name: 1-cyano-3-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine CAS Name: 1-cyano-3-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine Traditional Name: 1-cyano-3-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine Formula: C17H24N6O4S MolecularWeight: 408.47526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2

InChI

InChI=1S/C17H24N6O4S/c1-12(2)20-17(19-11-18)22-28(26,27)16-10-14(23(24)25)8-9-15(16)21-13-6-4-3-5-7-13/h8-10,12-13,21H,3-7H2,1-2H3,(H2,19,20,22)