N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22FN3O3S2/c26-19-12-14-20(15-13-19)34(31,32)29-16-6-10-22(29)24(30)28(17-18-7-2-1-3-8-18)25-27-21-9-4-5-11-23(21)33-25/h1-5,7-9,11-15,22H,6,10,16-17H2