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

Systemtic Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethyl-nonanoate Openeye Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethyl-nonanoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]-2-ethylnonanoic acid phenyl ester IUPAC Name: phenyl 3-[(4-bromophenyl)sulfonylamino]-2-ethylnonanoate Traditional Name: 3-(brosylamino)-2-ethyl-pelargonic acid phenyl ester Formula: C23H30BrNO4S MolecularWeight: 496.4576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO4S/c1-3-5-6-10-13-22(25-30(27,28)20-16-14-18(24)15-17-20)21(4-2)23(26)29-19-11-8-7-9-12-19/h7-9,11-12,14-17,21-22,25H,3-6,10,13H2,1-2H3