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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H23FN4O3S2 MolecularWeight: 510.603523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H23FN4O3S2/c1-17-7-10-20(11-8-17)35(32,33)30-14-4-6-22(30)24(31)29(16-19-5-2-3-13-27-19)25-28-21-12-9-18(26)15-23(21)34-25/h2-3,5,7-13,15,22H,4,6,14,16H2,1H3