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

Systemtic Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-fluorobenzyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H24FN5O3S MolecularWeight: 445.510363

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=CC=C4F)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=CC=C4F)N=N1

InChI

InChI=1S/C21H24FN5O3S/c1-2-11-26-19-10-9-16(13-18(19)24-25-26)31(29,30)27-12-5-8-20(27)21(28)23-14-15-6-3-4-7-17(15)22/h3-4,6-7,9-10,13,20H,2,5,8,11-12,14H2,1H3,(H,23,28)