N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O4S2/c1-2-16-7-8-17(15-20(16)31(27,28)25-11-13-29-14-12-25)22(26)23-10-9-21-24-18-5-3-4-6-19(18)30-21/h3-8,15H,2,9-14H2,1H3,(H,23,26)