N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonyl-2-oxidanyl-benzamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonyl-2-oxidanyl-benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-morpholinosulfonyl-benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-hydroxy-5-morpholinosulfonyl-benzamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)O

InChI

InChI=1S/C20H21N3O5S2/c1-2-13-3-5-16-18(11-13)29-20(21-16)22-19(25)15-12-14(4-6-17(15)24)30(26,27)23-7-9-28-10-8-23/h3-6,11-12,24H,2,7-10H2,1H3,(H,21,22,25)