N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C26H25FN4O3S2 MolecularWeight: 524.630103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25FN4O3S2/c1-2-18-8-13-22-24(16-18)35-26(29-22)30(17-20-6-3-4-14-28-20)25(32)23-7-5-15-31(23)36(33,34)21-11-9-19(27)10-12-21/h3-4,6,8-14,16,23H,2,5,7,15,17H2,1H3