2-ethylsulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]-5-sulfamoyl-benzamide

Systemtic Name: 2-ethylsulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]-5-sulfamoyl-benzamide Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-ethylsulfanyl-5-sulfamoyl-benzamide CAS Name: 2-(ethylthio)-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]-5-sulfamoylbenzamide IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-ethylsulfanyl-5-sulfamoylbenzamide Traditional Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(ethylthio)-5-sulfamoyl-benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S2/c1-2-29-20-9-8-18(30(22,26)27)12-19(20)21(25)23-13-17-15-24(10-11-28-17)14-16-6-4-3-5-7-16/h3-9,12,17H,2,10-11,13-15H2,1H3,(H,23,25)(H2,22,26,27)