N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H25N3O4S3 MolecularWeight: 515.668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H25N3O4S3/c1-16-10-11-17(2)22-21(16)25-24(33-22)26(15-18-7-5-13-31-18)23(28)19-8-3-4-12-27(19)34(29,30)20-9-6-14-32-20/h5-7,9-11,13-14,19H,3-4,8,12,15H2,1-2H3