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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C23H21ClN4O3S3 MolecularWeight: 533.08584

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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=CC=C4Cl)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H21ClN4O3S3/c24-17-8-5-10-19-21(17)26-23(33-19)27(15-16-7-1-3-12-25-16)22(29)18-9-2-4-13-28(18)34(30,31)20-11-6-14-32-20/h1,3,5-8,10-12,14,18H,2,4,9,13,15H2