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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C23H21BrN4O3S3 MolecularWeight: 577.53684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H21BrN4O3S3/c24-16-9-10-18-20(14-16)33-23(26-18)27(15-17-6-1-3-11-25-17)22(29)19-7-2-4-12-28(19)34(30,31)21-8-5-13-32-21/h1,3,5-6,8-11,13-14,19H,2,4,7,12,15H2