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

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

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

InChI

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