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

Systemtic Name: 1-cyano-3-[2-(cycloheptylamino)-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine Openeye Name: 1-cyano-3-[2-(cycloheptylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine CAS Name: 1-cyano-3-[2-(cycloheptylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[2-(cycloheptylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine Traditional Name: 1-cyano-3-[2-(cycloheptylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine Formula: C18H26N6O4S MolecularWeight: 422.50184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCCC2

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCCC2

InChI

InChI=1S/C18H26N6O4S/c1-13(2)21-18(20-12-19)23-29(27,28)17-11-15(24(25)26)9-10-16(17)22-14-7-5-3-4-6-8-14/h9-11,13-14,22H,3-8H2,1-2H3,(H2,20,21,23)