2-butylsulfonyl-1-[4-(phenylcarbonyl)piperidin-1-yl]guanidine dihydrochloride

Systemtic Name: 2-butylsulfonyl-1-[4-(phenylcarbonyl)piperidin-1-yl]guanidine dihydrochloride Openeye Name: 1-(4-benzoyl-1-piperidyl)-2-butylsulfonyl-guanidine dihydrochloride CAS Name: 1-(4-benzoyl-1-piperidinyl)-2-butylsulfonylguanidine dihydrochloride IUPAC Name: 1-(4-benzoylpiperidin-1-yl)-2-butylsulfonylguanidine dihydrochloride Traditional Name: 1-(4-benzoylpiperidino)-2-butylsulfonyl-guanidine dihydrochloride Formula: C17H28Cl2N4O3S MolecularWeight: 439.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N=C(N)NN1CCC(CC1)C(=O)C2=CC=CC=C2.Cl.Cl

Isomeric SMILES

CCCCS(=O)(=O)/N=C(\N)/NN1CCC(CC1)C(=O)C2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C17H26N4O3S.2ClH/c1-2-3-13-25(23,24)20-17(18)19-21-11-9-15(10-12-21)16(22)14-7-5-4-6-8-14;;/h4-8,15H,2-3,9-13H2,1H3,(H3,18,19,20);2*1H