5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-2-[(4-piperidinosulfonylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxamide Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O6S2/c1-16-22(14-17-5-10-20-21(13-17)35-15-34-20)36-26(23(16)24(27)30)28-25(31)18-6-8-19(9-7-18)37(32,33)29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14-15H2,1H3,(H2,27,30)(H,28,31)