1-cyano-2-(3-imidazol-1-ylpropyl)-3-(4-piperidin-1-ylsulfonylphenyl)guanidine

Systemtic Name: 1-cyano-2-(3-imidazol-1-ylpropyl)-3-(4-piperidin-1-ylsulfonylphenyl)guanidine Openeye Name: 1-cyano-2-(3-imidazol-1-ylpropyl)-3-[4-(1-piperidylsulfonyl)phenyl]guanidine CAS Name: 1-cyano-2-[3-(1-imidazolyl)propyl]-3-[4-(1-piperidinylsulfonyl)phenyl]guanidine IUPAC Name: 1-cyano-2-(3-imidazol-1-ylpropyl)-3-(4-piperidin-1-ylsulfonylphenyl)guanidine Traditional Name: 1-cyano-2-(3-imidazol-1-ylpropyl)-3-(4-piperidinosulfonylphenyl)guanidine Formula: C19H25N7O2S MolecularWeight: 415.5125

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=NCCCN3C=CN=C3)NC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=NCCCN3C=CN=C3)NC#N

InChI

InChI=1S/C19H25N7O2S/c20-15-23-19(22-9-4-11-25-14-10-21-16-25)24-17-5-7-18(8-6-17)29(27,28)26-12-2-1-3-13-26/h5-8,10,14,16H,1-4,9,11-13H2,(H2,22,23,24)