[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21BrN2O6S/c1-14-5-6-15(11-18(14)30(26,27)23-7-9-28-10-8-23)20(25)29-13-19(24)22-17-4-2-3-16(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)