1-cyano-2-(2-methylbutan-2-yl)-3-(3-piperidin-1-ylsulfonylphenyl)guanidine

Systemtic Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(3-piperidin-1-ylsulfonylphenyl)guanidine Openeye Name: 1-cyano-2-(1,1-dimethylpropyl)-3-[3-(1-piperidylsulfonyl)phenyl]guanidine CAS Name: 1-cyano-2-(2-methylbutan-2-yl)-3-[3-(1-piperidinylsulfonyl)phenyl]guanidine IUPAC Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(3-piperidin-1-ylsulfonylphenyl)guanidine Traditional Name: 2-tert-amyl-1-cyano-3-(3-piperidinosulfonylphenyl)guanidine Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-9-8-10-16(13-15)26(24,25)23-11-6-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H2,20,21,22)