ethyl 3-[(2-chloranyl-5-methylsulfonyl-phenyl)sulfonylamino]-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-5-methylsulfonyl-phenyl)sulfonylamino]-4-(ethylamino)benzoate Openeye Name: ethyl 3-[(2-chloro-5-methylsulfonyl-phenyl)sulfonylamino]-4-(ethylamino)benzoate CAS Name: 3-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]-4-(ethylamino)benzoate Traditional Name: 3-[(2-chloro-5-mesyl-phenyl)sulfonylamino]-4-(ethylamino)benzoic acid ethyl ester Formula: C18H21ClN2O6S2 MolecularWeight: 460.95214

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O6S2/c1-4-20-15-9-6-12(18(22)27-5-2)10-16(15)21-29(25,26)17-11-13(28(3,23)24)7-8-14(17)19/h6-11,20-21H,4-5H2,1-3H3