3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-tosyl-propionamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S2/c1-15-2-5-17(6-3-15)30(26,27)13-8-20(25)22-16-4-7-18-19(14-16)29-21(23-18)24-9-11-28-12-10-24/h2-7,14H,8-13H2,1H3,(H,22,25)