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

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C25H26N4O3S3 MolecularWeight: 526.69394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S3/c1-17-10-11-18(2)23-22(17)27-25(34-23)28(16-19-7-5-12-26-15-19)24(30)20-8-3-4-13-29(20)35(31,32)21-9-6-14-33-21/h5-7,9-12,14-15,20H,3-4,8,13,16H2,1-2H3