N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinecarboxamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]pipecolinamide Formula: C21H23BrClN3O4S3 MolecularWeight: 592.97702

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H23BrClN3O4S3/c1-2-30-12-11-25-15-7-6-14(22)13-17(15)31-21(25)24-20(27)16-5-3-4-10-26(16)33(28,29)19-9-8-18(23)32-19/h6-9,13,16H,2-5,10-12H2,1H3