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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

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