3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acrylamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O4S2/c1-16-7-6-8-19-22(16)25-23(31-19)24-21(27)12-10-17-9-11-18(30-2)20(15-17)32(28,29)26-13-4-3-5-14-26/h6-12,15H,3-5,13-14H2,1-2H3,(H,24,25,27)