2-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(4-morpholinosulfonylphenyl)-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[4-(4-morpholinylsulfonyl)phenyl]-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-ylsulfonylphenyl)-3-oxopentanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-5-(4-morpholinosulfonylphenyl)valeronitrile Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O4S2/c23-15-18(22-24-19-3-1-2-4-21(19)30-22)20(26)10-7-16-5-8-17(9-6-16)31(27,28)25-11-13-29-14-12-25/h1-6,8-9,18H,7,10-14H2