N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H21N3O3S3 MolecularWeight: 483.62614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S3/c27-22(16-7-5-13-26(15-16)32(28,29)21-12-6-14-30-21)24-18-9-2-1-8-17(18)23-25-19-10-3-4-11-20(19)31-23/h1-4,6,8-12,14,16H,5,7,13,15H2,(H,24,27)