ethyl 2-chloranyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 2-chloro-4-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-chloro-4-[(2-methyl-5-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=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C)Cl

Isomeric SMILES

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

InChI

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