4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-(2-ethylpiperidino)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)benzamide Formula: C28H36N4O4S3 MolecularWeight: 588.80484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3CCOCC3)C4=NC5=C(S4)C=C(C=C5)SC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3CCOCC3)C4=NC5=C(S4)C=C(C=C5)SC

InChI

InChI=1S/C28H36N4O4S3/c1-3-22-6-4-5-13-32(22)39(34,35)24-10-7-21(8-11-24)27(33)31(15-14-30-16-18-36-19-17-30)28-29-25-12-9-23(37-2)20-26(25)38-28/h7-12,20,22H,3-6,13-19H2,1-2H3