1-cyano-2-cyclohexyl-3-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-guanidine

Systemtic Name: 1-cyano-2-cyclohexyl-3-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-guanidine Openeye Name: 1-cyano-2-cyclohexyl-3-[2-(3-methylanilino)-5-nitro-phenyl]sulfonyl-guanidine CAS Name: 1-cyano-2-cyclohexyl-3-[2-(3-methylanilino)-5-nitrophenyl]sulfonylguanidine IUPAC Name: 1-cyano-2-cyclohexyl-3-[2-(3-methylanilino)-5-nitrophenyl]sulfonylguanidine Traditional Name: 1-cyano-2-cyclohexyl-3-[2-(m-toluidino)-5-nitro-phenyl]sulfonyl-guanidine Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=NC3CCCCC3)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=NC3CCCCC3)NC#N

InChI

InChI=1S/C21H24N6O4S/c1-15-6-5-9-17(12-15)24-19-11-10-18(27(28)29)13-20(19)32(30,31)26-21(23-14-22)25-16-7-3-2-4-8-16/h5-6,9-13,16,24H,2-4,7-8H2,1H3,(H2,23,25,26)