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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-oxolanylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S2/c1-17-10-12-20(13-11-17)34(30,31)28-14-4-8-21(28)24(29)27(16-19-7-5-15-32-19)25-26-23-18(2)6-3-9-22(23)33-25/h3,6,9-13,19,21H,4-5,7-8,14-16H2,1-2H3