ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]benzoate Openeye Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]benzoate CAS Name: 3-[[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]benzoate Traditional Name: 3-[4-[1,3-benzodioxol-5-yl(mesyl)amino]butanoylamino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O7S/c1-3-28-21(25)15-6-4-7-16(12-15)22-20(24)8-5-11-23(31(2,26)27)17-9-10-18-19(13-17)30-14-29-18/h4,6-7,9-10,12-13H,3,5,8,11,14H2,1-2H3,(H,22,24)