N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C25H26N4O3S3 MolecularWeight: 526.69394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S3/c1-17-13-21-22(14-18(17)2)34-25(27-21)29(16-19-5-3-9-26-15-19)24(30)20-7-10-28(11-8-20)35(31,32)23-6-4-12-33-23/h3-6,9,12-15,20H,7-8,10-11,16H2,1-2H3