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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C27H36N4O5S3 MolecularWeight: 592.79354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H36N4O5S3/c1-4-29(5-2)18-19-31(27-28-24-15-14-23(38(3,33)34)20-25(24)37-27)26(32)21-10-12-22(13-11-21)39(35,36)30-16-8-6-7-9-17-30/h10-15,20H,4-9,16-19H2,1-3H3