N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H28N4O6S4 MolecularWeight: 584.75162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H28N4O6S4/c1-36(29,30)19-7-2-6-18-21(19)24-23(35-18)26(11-10-25-12-14-33-15-13-25)22(28)17-5-3-9-27(17)37(31,32)20-8-4-16-34-20/h2,4,6-8,16-17H,3,5,9-15H2,1H3