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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

InChI

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