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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=CC=C5S4)F

InChI

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