4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C27H34N4O6S3 MolecularWeight: 606.77706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H34N4O6S3/c1-39(33,34)23-10-11-24-25(20-23)38-27(28-24)31(15-14-29-16-18-37-19-17-29)26(32)21-6-8-22(9-7-21)40(35,36)30-12-4-2-3-5-13-30/h6-11,20H,2-5,12-19H2,1H3