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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-5-piperonyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-3-carboxamide Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6S2/c1-15-21(13-16-4-9-19-20(12-16)34-14-33-19)35-25(22(15)23(26)29)27-24(30)17-5-7-18(8-6-17)36(31,32)28-10-2-3-11-28/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,26,29)(H,27,30)