phenylsulfonyl-[N-(6-piperidin-1-ylpyrimidin-4-yl)-C-(trichloromethyl)carbonimidoyl]azanide

Systemtic Name: phenylsulfonyl-[N-(6-piperidin-1-ylpyrimidin-4-yl)-C-(trichloromethyl)carbonimidoyl]azanide Openeye Name: benzenesulfonyl-[N-[6-(1-piperidyl)pyrimidin-4-yl]-C-(trichloromethyl)carbonimidoyl]azanide CAS Name: benzenesulfonyl-[2,2,2-trichloro-1-[[6-(1-piperidinyl)-4-pyrimidinyl]imino]ethyl]azanide IUPAC Name: benzenesulfonyl-[N-(6-piperidin-1-ylpyrimidin-4-yl)-C-(trichloromethyl)carbonimidoyl]azanide Traditional Name: besyl-[N-(6-piperidinopyrimidin-4-yl)-C-(trichloromethyl)carbonimidoyl]azanide Formula: C17H17Cl3N5O2S- MolecularWeight: 461.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC(=C2)N=C(C(Cl)(Cl)Cl)[N-]S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=NC=NC(=C2)N=C(C(Cl)(Cl)Cl)[N-]S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17Cl3N5O2S/c18-17(19,20)16(24-28(26,27)13-7-3-1-4-8-13)23-14-11-15(22-12-21-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2/q-1