methyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propyl-benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propyl-benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-[(4-isopropylphenyl)sulfonylamino]-3-oxo-propyl]-3-propyl-benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propylbenzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-keto-3-(p-cumenylsulfonylamino)propyl]-3-propyl-benzoic acid methyl ester Formula: C30H33NO7S MolecularWeight: 551.65052

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H33NO7S/c1-5-6-21-15-24(30(33)36-4)8-7-22(21)16-26(23-11-14-27-28(17-23)38-18-37-27)29(32)31-39(34,35)25-12-9-20(10-13-25)19(2)3/h7-15,17,19,26H,5-6,16,18H2,1-4H3,(H,31,32)