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

Systemtic Name: ethyl 4-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 4-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-chloro-benzoate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxobutyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]butanoylamino]-2-chlorobenzoate Traditional Name: 4-[4-[1,3-benzodioxol-5-yl(mesyl)amino]butanoylamino]-2-chloro-benzoic acid ethyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S/c1-3-29-21(26)16-8-6-14(11-17(16)22)23-20(25)5-4-10-24(32(2,27)28)15-7-9-18-19(12-15)31-13-30-18/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,25)