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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=CS4

InChI

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