methyl 4-[2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]ethyl]benzoate CAS Name: 4-[2-[(4-bromo-3-methylphenyl)sulfonylamino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-bromo-3-methylphenyl)sulfonylamino]ethyl]benzoate Traditional Name: 4-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]ethyl]benzoic acid methyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C17H18BrNO4S/c1-12-11-15(7-8-16(12)18)24(21,22)19-10-9-13-3-5-14(6-4-13)17(20)23-2/h3-8,11,19H,9-10H2,1-2H3