3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one Openeye Name: 6-morpholinosulfonyl-3-[[2-(p-tolyl)thiazol-4-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one Traditional Name: 6-morpholinosulfonyl-3-[[2-(p-tolyl)thiazol-4-yl]methyl]-1,3-benzothiazol-2-one Formula: C22H21N3O4S3 MolecularWeight: 487.61484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)SC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)SC3=O

InChI

InChI=1S/C22H21N3O4S3/c1-15-2-4-16(5-3-15)21-23-17(14-30-21)13-25-19-7-6-18(12-20(19)31-22(25)26)32(27,28)24-8-10-29-11-9-24/h2-7,12,14H,8-11,13H2,1H3