N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C23H21N3O3S3 MolecularWeight: 483.62614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

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