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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CO3)C4=NC5=C(S4)C=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CO3)C4=NC5=C(S4)C=CC(=C5C)C

InChI

InChI=1S/C26H27N3O4S2/c1-17-8-11-21(12-9-17)35(31,32)29-14-4-7-22(29)25(30)28(16-20-6-5-15-33-20)26-27-24-19(3)18(2)10-13-23(24)34-26/h5-6,8-13,15,22H,4,7,14,16H2,1-3H3