N-[(3-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-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=C4)F)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)F)N=N1

InChI

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