N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C26H25FN4O3S2 MolecularWeight: 524.630103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

InChI

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