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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18ClN5O3S2/c19-14-3-4-16(24-12-20-11-21-24)15(10-14)22-18(25)13-5-7-23(8-6-13)29(26,27)17-2-1-9-28-17/h1-4,9-13H,5-8H2,(H,22,25)