N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-piperidinosulfonyl-benzamide Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C20H20ClN5O3S/c21-16-7-8-19(26-14-22-13-23-26)18(12-16)24-20(27)15-5-4-6-17(11-15)30(28,29)25-9-2-1-3-10-25/h4-8,11-14H,1-3,9-10H2,(H,24,27)