ethyl 3-[(2-chloranyl-5-thiomorpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-5-thiomorpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-chloro-5-thiomorpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 3-[[(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-5-thiomorpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(2-chloro-5-thiomorpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c1-2-28-20(25)14-4-3-5-15(12-14)22-19(24)17-13-16(6-7-18(17)21)30(26,27)23-8-10-29-11-9-23/h3-7,12-13H,2,8-11H2,1H3,(H,22,24)