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

Systemtic Name: ethyl 4-[(2-chloranyl-5-thiomorpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-chloro-5-thiomorpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-thiomorpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

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

InChI

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