methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C30H33NO8S MolecularWeight: 567.64992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO8S/c1-6-7-19-16-21(29(33)36-5)9-14-24(19)39-27(20-8-15-25-26(17-20)38-18-37-25)28(32)31-40(34,35)23-12-10-22(11-13-23)30(2,3)4/h8-17,27H,6-7,18H2,1-5H3,(H,31,32)