N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C21H21N3O6S3 MolecularWeight: 507.60294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O6S3/c1-32(26,27)17-7-8-18-19(14-17)31-21(22-18)23-20(25)9-4-15-2-5-16(6-3-15)33(28,29)24-10-12-30-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)