4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-N-sulfamoyl-benzamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-N-sulfamoyl-benzamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-N-sulfamoyl-benzamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-N-sulfamoylbenzamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-N-sulfamoylbenzamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-N-sulfamoyl-benzamide Formula: C28H31N3O9S2 MolecularWeight: 617.69044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)NS(=O)(=O)N)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)NS(=O)(=O)N)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H31N3O9S2/c1-4-5-19-14-21(27(32)31-42(29,36)37)9-12-23(19)40-26(20-8-13-24-25(15-20)39-16-38-24)28(33)30-41(34,35)22-10-6-18(7-11-22)17(2)3/h6-15,17,26H,4-5,16H2,1-3H3,(H,30,33)(H,31,32)(H2,29,36,37)