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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16BrN3O3S3/c18-11-5-3-7-13-15(11)19-17(26-13)20-16(22)12-6-1-2-9-21(12)27(23,24)14-8-4-10-25-14/h3-5,7-8,10,12H,1-2,6,9H2,(H,19,20,22)