2-[1-(2-bromophenyl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-(2-bromophenyl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[1-(2-bromophenyl)ethylamino]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(2-bromophenyl)ethylamino]-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2-bromophenyl)ethylamino]-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[1-(2-bromophenyl)ethylamino]-5-morpholinosulfonyl-benzoic acid Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C19H21BrN2O5S/c1-13(15-4-2-3-5-17(15)20)21-18-7-6-14(12-16(18)19(23)24)28(25,26)22-8-10-27-11-9-22/h2-7,12-13,21H,8-11H2,1H3,(H,23,24)