methyl 4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[2-[(4-isopropylphenyl)sulfonylamino]-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoate Traditional Name: 4-[2-keto-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-benzoic acid methyl ester Formula: C30H33NO9S MolecularWeight: 583.64932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO9S/c1-6-7-20-14-21(30(33)37-5)10-13-24(20)40-27(22-15-25(36-4)28-26(16-22)38-17-39-28)29(32)31-41(34,35)23-11-8-19(9-12-23)18(2)3/h8-16,18,27H,6-7,17H2,1-5H3,(H,31,32)