N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-fluorobenzyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C22H26FN5O3S MolecularWeight: 459.536943

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4F)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4F)N=N1

InChI

InChI=1S/C22H26FN5O3S/c1-2-11-28-21-8-7-18(14-20(21)25-26-28)32(30,31)27-12-9-16(10-13-27)22(29)24-15-17-5-3-4-6-19(17)23/h3-8,14,16H,2,9-13,15H2,1H3,(H,24,29)