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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C27H26FN3O3S2 MolecularWeight: 523.642043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O3S2/c1-18-15-23-25(16-19(18)2)35-27(29-23)30(17-20-7-4-3-5-8-20)26(32)24-9-6-14-31(24)36(33,34)22-12-10-21(28)11-13-22/h3-5,7-8,10-13,15-16,24H,6,9,14,17H2,1-2H3