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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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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)N3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O7S2/c1-16-22(14-17-5-10-20-21(13-17)35-15-34-20)36-25(23(16)26(30)33-2)27-24(29)18-6-8-19(9-7-18)37(31,32)28-11-3-4-12-28/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,27,29)