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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O6S3 MolecularWeight: 523.6454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S3/c1-31-14-13-25-19-10-9-18(33(2,27)28)15-20(19)32-22(25)23-21(26)16-5-7-17(8-6-16)34(29,30)24-11-3-4-12-24/h5-10,15H,3-4,11-14H2,1-2H3