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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(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=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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