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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C25H26N4O5S3 MolecularWeight: 558.69274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O5S3/c1-33-19-10-11-20(34-2)23-22(19)27-25(36-23)28(16-17-7-5-12-26-15-17)24(30)18-8-3-4-13-29(18)37(31,32)21-9-6-14-35-21/h5-7,9-12,14-15,18H,3-4,8,13,16H2,1-2H3