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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C28H29N3O5S2 MolecularWeight: 551.67696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N)C

InChI

InChI=1S/C28H29N3O5S2/c1-17-10-18(2)15-31(14-17)38(33,34)22-7-5-21(6-8-22)27(32)30-28-23(13-29)19(3)26(37-28)12-20-4-9-24-25(11-20)36-16-35-24/h4-9,11,17-18H,10,12,14-16H2,1-3H3,(H,30,32)