N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C21H22BrN3O4S2 MolecularWeight: 524.45108

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22BrN3O4S2/c1-29-13-12-25-18-9-6-16(22)14-19(18)30-21(25)23-20(26)15-4-7-17(8-5-15)31(27,28)24-10-2-3-11-24/h4-9,14H,2-3,10-13H2,1H3