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

Systemtic Name: 1-cyano-3-[2-(cyclooctylamino)-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine Openeye Name: 1-cyano-3-[2-(cyclooctylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine CAS Name: 1-cyano-3-[2-(cyclooctylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[2-(cyclooctylamino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine Traditional Name: 1-cyano-3-[2-(cyclooctylamino)-5-nitro-phenyl]sulfonyl-2-isopropyl-guanidine Formula: C19H28N6O4S MolecularWeight: 436.52842

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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-])NC2CCCCCCC2

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCCCC2

InChI

InChI=1S/C19H28N6O4S/c1-14(2)22-19(21-13-20)24-30(28,29)18-12-16(25(26)27)10-11-17(18)23-15-8-6-4-3-5-7-9-15/h10-12,14-15,23H,3-9H2,1-2H3,(H2,21,22,24)