phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethyl-heptanoate

Systemtic Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethyl-heptanoate Openeye Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethyl-heptanoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]-2-ethylheptanoic acid phenyl ester IUPAC Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethylheptanoate Traditional Name: 3-(brosylamino)-2-ethyl-enanthic acid phenyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrNO4S/c1-3-5-11-20(23-28(25,26)18-14-12-16(22)13-15-18)19(4-2)21(24)27-17-9-7-6-8-10-17/h6-10,12-15,19-20,23H,3-5,11H2,1-2H3