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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C23H27N3O6S3 MolecularWeight: 537.67198

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O6S3/c1-3-32-15-14-26-20-11-10-19(34(2,28)29)16-21(20)33-23(26)24-22(27)17-6-8-18(9-7-17)35(30,31)25-12-4-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3