ethyl 3-chloranyl-4-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 3-chloro-4-[[[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-chloro-4-[(4-methyl-3-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-3-29-21(26)16-8-9-18(17(22)12-16)23-20(25)15-7-6-14(2)19(13-15)30(27,28)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)