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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxamide Formula: C25H25N3O7S2 MolecularWeight: 543.6119

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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)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O7S2/c1-15-21(13-16-2-7-19-20(12-16)35-14-34-19)36-25(22(15)23(26)29)27-24(30)17-3-5-18(6-4-17)37(31,32)28-8-10-33-11-9-28/h2-7,12H,8-11,13-14H2,1H3,(H2,26,29)(H,27,30)