N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H25N3O4S2/c1-17-7-8-18(2)23-22(17)26-25(33-23)28(16-20-6-5-15-32-20)24(29)19-9-11-21(12-10-19)34(30,31)27-13-3-4-14-27/h5-12,15H,3-4,13-14,16H2,1-2H3