N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2CN3C=CN=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2CN3C=CN=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c26-21(17-7-10-25(11-8-17)30(27,28)20-6-3-13-29-20)23-14-18-4-1-2-5-19(18)15-24-12-9-22-16-24/h1-6,9,12-13,16-17H,7-8,10-11,14-15H2,(H,23,26)