N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-oxolanylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3CCCO3)C4=NC5=CC(=CC(=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3CCCO3)C4=NC5=CC(=CC(=C5S4)C)C

InChI

InChI=1S/C26H31N3O4S2/c1-17-8-10-21(11-9-17)35(31,32)29-12-4-7-23(29)25(30)28(16-20-6-5-13-33-20)26-27-22-15-18(2)14-19(3)24(22)34-26/h8-11,14-15,20,23H,4-7,12-13,16H2,1-3H3