2-[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methyl-pyrazol-3-yl]oxyethyl ethanoate

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methyl-pyrazol-3-yl]oxyethyl ethanoate Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methyl-pyrazol-3-yl]oxyethyl acetate CAS Name: acetic acid 2-[[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methyl-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methylpyrazol-3-yl]oxyethyl acetate Traditional Name: acetic acid 2-[4-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-1-methyl-pyrazol-3-yl]oxyethyl ester Formula: C29H37N3O9S MolecularWeight: 603.68378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N(COCCOC)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N(COCCOC)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C29H37N3O9S/c1-20(33)38-15-16-39-27-26(21-7-12-24-25(17-21)41-19-40-24)28(31(5)30-27)32(18-37-14-13-36-6)42(34,35)23-10-8-22(9-11-23)29(2,3)4/h7-12,17H,13-16,18-19H2,1-6H3