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

Systemtic Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C26H28N4O3S3 MolecularWeight: 540.72052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H28N4O3S3/c1-18(2)20-10-7-12-22-24(20)28-26(35-22)29(17-19-9-3-5-14-27-19)25(31)21-11-4-6-15-30(21)36(32,33)23-13-8-16-34-23/h3,5,7-10,12-14,16,18,21H,4,6,11,15,17H2,1-2H3