N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-(2,6-dimethylmorpholino)sulfonyl-benzamide Formula: C27H27N3O6S2 MolecularWeight: 553.64978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N

InChI

InChI=1S/C27H27N3O6S2/c1-16-13-30(14-17(2)36-16)38(32,33)21-7-5-20(6-8-21)26(31)29-27-22(12-28)18(3)25(37-27)11-19-4-9-23-24(10-19)35-15-34-23/h4-10,16-17H,11,13-15H2,1-3H3,(H,29,31)