N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H26N4O5S4 MolecularWeight: 542.71494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O5S4/c1-23(2)11-12-24(21-22-16-9-8-15(33(3,27)28)14-18(16)32-21)20(26)17-6-4-10-25(17)34(29,30)19-7-5-13-31-19/h5,7-9,13-14,17H,4,6,10-12H2,1-3H3