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

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c1-3-28-20(25)13-5-7-16(15(21)9-13)22-19(24)11-23(31(26,27)4-2)14-6-8-17-18(10-14)30-12-29-17/h5-10H,3-4,11-12H2,1-2H3,(H,22,24)