ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-methyl-benzoate CAS Name: 3-[[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxobutyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-methylbenzoate Traditional Name: 3-[4-[1,3-benzodioxol-5-yl(mesyl)amino]butanoylamino]-2-methyl-benzoic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-4-29-22(26)17-7-5-8-18(15(17)2)23-21(25)9-6-12-24(32(3,27)28)16-10-11-19-20(13-16)31-14-30-19/h5,7-8,10-11,13H,4,6,9,12,14H2,1-3H3,(H,23,25)