ethyl 3-chloranyl-4-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[methylsulfonyl(1-naphthyl)amino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-[methylsulfonyl(1-naphthalenyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[mesyl(1-naphthyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-3-30-22(27)16-11-12-19(18(23)13-16)24-21(26)14-25(31(2,28)29)20-10-6-8-15-7-4-5-9-17(15)20/h4-13H,3,14H2,1-2H3,(H,24,26)