N-[3-(imidazol-1-ylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C20H22N4O3S2/c25-20(22-18-6-1-4-16(12-18)13-23-10-8-21-15-23)17-5-2-9-24(14-17)29(26,27)19-7-3-11-28-19/h1,3-4,6-8,10-12,15,17H,2,5,9,13-14H2,(H,22,25)