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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H30N2O7S2 MolecularWeight: 570.677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H30N2O7S2/c1-3-35-28(32)25-18(2)24(16-19-7-12-22-23(15-19)37-17-36-22)38-27(25)29-26(31)20-8-10-21(11-9-20)39(33,34)30-13-5-4-6-14-30/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,29,31)