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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-piperidinosulfonylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S2/c1-17-23(15-18-6-11-21-22(14-18)36-16-35-21)37-26(24(17)27(31)34-2)28-25(30)19-7-9-20(10-8-19)38(32,33)29-12-4-3-5-13-29/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,28,30)