N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C17H16BrN3O3S3 MolecularWeight: 486.42624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16BrN3O3S3/c18-12-3-4-13-14(10-12)26-17(19-13)20-16(22)11-5-7-21(8-6-11)27(23,24)15-2-1-9-25-15/h1-4,9-11H,5-8H2,(H,19,20,22)