N-(6-butyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-morpholinosulfonyl-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-morpholinosulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O4S2/c1-2-3-5-16-8-9-19-20(14-16)30-22(23-19)24-21(26)17-6-4-7-18(15-17)31(27,28)25-10-12-29-13-11-25/h4,6-9,14-15H,2-3,5,10-13H2,1H3,(H,23,24,26)