N-[(2-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-piperidine-3-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-1-[[1-(2-methoxyethyl)-5-benzotriazolyl]sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-fluorobenzyl)-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-nipecotamide Formula: C22H26FN5O4S MolecularWeight: 475.536343

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4F)N=N1

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4F)N=N1

InChI

InChI=1S/C22H26FN5O4S/c1-32-12-11-28-21-9-8-18(13-20(21)25-26-28)33(30,31)27-10-4-6-17(15-27)22(29)24-14-16-5-2-3-7-19(16)23/h2-3,5,7-9,13,17H,4,6,10-12,14-15H2,1H3,(H,24,29)