N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H18ClN5O3S2 MolecularWeight: 451.95022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C18H18ClN5O3S2/c19-14-5-6-16(24-12-20-11-21-24)15(9-14)22-18(25)13-3-1-7-23(10-13)29(26,27)17-4-2-8-28-17/h2,4-6,8-9,11-13H,1,3,7,10H2,(H,22,25)