4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-(1-piperidyl)-3-(1-piperidylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-piperidino-3-piperidinosulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C19H25N6O3S- MolecularWeight: 417.5052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H26N6O3S/c26-18(22-19-20-14-21-23-19)15-7-8-16(24-9-3-1-4-10-24)17(13-15)29(27,28)25-11-5-2-6-12-25/h7-8,13-14H,1-6,9-12H2,(H2,20,21,22,23,26)/p-1